1,4-Oxazinane is a colorless liquid with a weak ammonia or fishlike odor, widely used across diverse applications from pharmaceuticals to industrial processes.
1,4-Oxazinane conjugate acid, morpholinium, forms salts like morpholinium chloride when neutralized with hydrochloric acid, illustrating its basic properties and chemical versatility in synthesis and applications.
Despite its extensive use in various industries, 1,4-Oxazinane remains relatively unknown, yet it plays crucial roles in sectors ranging from pharmaceuticals to corrosion protection in steam systems, highlighting its utility and versatility in modern applications.
CAS Number: 110-91-8
EC Number: 203-815-1
Molecular Formula: C4H9NO
Molecular Weight: 88.11
Synonyms: Diethylenimide oxide, Tetrahydro-1,4-oxazine, Diethylene imidoxide, Diethylene oximide, Tetrahydro-p-oxazine, MORPHOLINE, 1-Oxa-4-azacyclohexane, Tetrahydro-1,4-oxazine, Diethylene oximide, Diethylenimide oxide, Diethyleneimide oxide, Diethylene imidoxide, Drewamine, Tetrahydro-2H-1,4-oxazine, Tetrahydro-p-oxazine, p-Isoxazine, tetrahydro-, Tetrahydro-1,4-isoxazine, morpholin, BASF 238, Caswell No. 584, 2H-1,4-Oxazine, tetrahydro-, 4H-1,4-Oxazine, tetrahydro-, Morpholine, 4-soya alkyl derivs., NSC 9376, 138048-80-3, N-Vinylbenzylmorpholine-divinylbenzene Copolymer, Tetrahydro-4H-1-4-oxazine, 8B2ZCK305O, CHEBI:34856, NSC-9376, DSSTox_CID_5688, DSSTox_RID_77880, DSSTox_GSID_25688, CAS-110-91-8, CCRIS 2482, HSDB 102, MORPHOLINE,REAG, Tetrahydro-p-isoxazine, MORPHOLINE, PRACT, UN2054, EPA Pesticide Chemical Code 054701, BRN 0102549, morphline, UNII-8B2ZCK305O, morpho line, morpholine-, AI3-01231, 6LR, 4H-1, tetrahydro-, MORPHOLINE , Morpholine , Morpholine Reagent Grade, MORPHOLINE , Morpholine on Rasta Resin, WLN: T6M DOTJ, EC 203-815-1, NCIMech_000154, Tetrahydro-1, 4-isoxazine, NCIOpen2_007748, Oprea1_317540, Tetryhydro-2H-1,4-oxazine, Tetrahydro-4H-1,4-Oxazine, 4-27-00-00015 , BIDD:ER0297, Morpholine, analytical standard, CHEMBL276518, DTXSID2025688, NSC9376, AMY22834, BCP24054, STR00194, ZINC1699948, Tox21_202450, Tox21_303240, STL182843, AKOS000118829, Morpholine, ACS reagent, >=99.0%, Morpholine, ReagentPlus(R), >=99%, DB13669, NA 2054UN 2054, NCGC00249227-01, NCGC00256942-01, NCGC00259999-01, 61791-40-0, Morpholine, p.a., ACS reagent, 99.0%, DB-030063, Morpholine , FT-0628993, M0465, Morpholine purified by distillation from glass, Morpholine, purified by redistillation, >=99.5%, Q410243, J-522715, 1-Oxa-4-azacyclohexane , Tetrahydro-2H-1,4-oxazine, F2190-0339, Tetrahydro-1, 4-isoxazine, Tetrahydro-1,4-isoxazine, Tetrahydro-2H-1,4-oxazine, Tetrahydro-4H-1,4-Oxazine, Tetrahydro-4H-1-4-oxazine, Tetrahydro-P-isoxazine, Tetrahydro-p-oxazine, Tetryhydro-2H-1,4-oxazine, UN 2054, UNII-8B2ZCK305O, WLN: T6M DOTJ
1,4-Oxazinane is an organic chemical compound having the chemical formula O(CH2CH2)2NH.
This heterocycle features both amine and ether functional groups.
Because of the amine, 1,4-Oxazinane is a base; it's conjugate acid is called morpholinium.
For example, treating 1,4-Oxazinane with hydrochloric acid makes the salt morpholinium chloride.
1,4-Oxazinane is a colorless liquid with a weak, ammonia- or fish-like odor.
The naming of 1,4-Oxazinane is attributed to Ludwig Knorr, who incorrectly believed 1,4-Oxazinane to be part of the structure of morphine.
1,4-Oxazinane appears as a colorless liquid with a fishlike odor.
1,4-Oxazinane's flash point is 100 °F.
1,4-Oxazinane is less dense than water and soluble in water.
1,4-Oxazinane's Vapors is heavier than air.
1,4-Oxazinane is an organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family.
1,4-Oxazinane is a saturated organic heteromonocyclic parent and a member of morpholines.
1,4-Oxazinane is a conjugate base of a morpholinium.
1,4-Oxazinane can be obtained, via degradation of N-methylmorpholine N-oxide (NMMO) during fiber production.
1,4-Oxazinane is a permitted (FDA) in edible coatings for fruit and vegetables.
1,4-Oxazinane is a common additive, in ppm concentrations, for pH adjustment in both fossil fuel and nuclear power plant steam systems.
1,4-Oxazinane is used because 1,4-Oxazinane's volatility is about the same as water, so once 1,4-Oxazinane is added to the water, its concentration becomes distributed rather evenly in both the water and steam phases.
1,4-Oxazinane's pH adjusting qualities then become distributed throughout the steam plant to provide corrosion protection.
1,4-Oxazinane is often used in conjunction with low concentrations of hydrazine or ammonia to provide a comprehensive all-volatile treatment chemistry for corrosion protection for the steam systems of such plants.
1,4-Oxazinane decomposes reasonably slowly in the absence of oxygen even at the high temperatures and pressures in these steam systems.
1,4-Oxazinane is an organic chemical compound having the chemical formula O(CH2CH2)2NH.
1,4-Oxazinane features both amine and ether functional groups.
Because of the amine, 1,4-Oxazinane is a base; 1,4-Oxazinane's conjugate acid is called morpholinium.
For example, when 1,4-Oxazinane is neutralized by hydrochloric acid, one obtains the salt morpholinium chloride.
1,4-Oxazinane is widely used in organic synthesis.
For example, 1,4-Oxazinane is a building block in the preparation of the antibiotic linezolid and the anticancer agent gefitinib (Iressa)
1,4-Oxazinane belongs to the class of organic compounds known as morpholines.
These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family.
1,4-Oxazinane is a saturated organic heteromonocyclic parent.
1,4-Oxazinane is conjugate base of morpholinium.
The gravity of 1,4-Oxazinane is 0.9994 (20/40 ℃), the melting point is - 4.9 ℃, and the boiling point is 128 ℃.
1,4-Oxazinane is an intermediate of many chemicals.
1,4-Oxazinane contains secondary amine groups and has all the typical reactive characteristics of secondary amine groups.
1,4-Oxazinane can react with inorganic acids to form salts, and react with organic acids to form salts or amides, which can be subjected to alkylation reaction, and can also be reacted with ethylene oxide, ketone or Willgerodt reaction.
1,4-Oxazinane is a six-membered ring containing oxygen and nitrogen, and 1,4-Oxazinane's alkalinity is much lower than that of its parent piperidine.
The marketed 1,4-Oxazinane drugs are mainly distributed in the fields of tumors, cardiovascular and cerebrovascular diseases, respiratory system diseases, digestive system diseases, infectious diseases and mental disorders.
1,4-Oxazinane is a colorless liquid with a weak Ammonia or fishlike odor.
1,4-Oxazinane , an organic compound with both amine and ether groups, obtained by dehydrating diethanolamine with sulphuric acid.
1,4-Oxazinane is incredibly common but a surprisingly little-known substance.
1,4-Oxazinane has applications as diverse as cleaning, rubber production, construction, heating and cooling, personal care, agriculture, and so much more.
And yet, for all its usefulness, 1,4-Oxazinane is strangely invisible.
1,4-Oxazinane really is practically invisible, as 1,4-Oxazinane is a colorless, easily soluble substance.
1,4-Oxazinane is an amine-ether compound, a derivative of both ammonia and nitrogen.
1,4-Oxazinane is a base as opposed to an acid.
And although it is used in medicine, 1,4-Oxazinane is not chemically related to morphine.
The molecular formula of 1,4-Oxazinane is C4H9NO.
1,4-Oxazinane is a heterocyclic chemical compound, which has amine and ether functional groups.
1,4-Oxazinane is a base due to the presence of the amine. Morpholine is colorless and free of suspended matter.
1,4-Oxazinane is a morpholines.
Uses of 1,4-Oxazinane:
1,4-Oxazinane is an organic chemical compound, which is used as a corrosion inhibitor, additive and used to synthesize other chemicals.
1,4-Oxazinane is commonly used as a solvent in organic synthesis, reactions and chemical industry research due to its low cost and polarity.
1,4-Oxazinane is an oily cyclic secondary amine C4H9NO made from ethylene oxide and ammonia and used chiefly as a solvent and emulsifying agent
1,4-Oxazinane is used Rubber Chemicals, Delayed action accelator, Catalysts, Temperature sensitive polymerization inhibitor, Gelling agent, Optical Brighteners, Stabler than chlorine bleaches, and Pharma Chemicals.
1,4-Oxazinane derivatives as analgesics and anesthetics, Choleretics, antispasmodics, analeptics, antimalarials, Processing Industries
1,4-Oxazinane is used Processing Industries (Non-food), Water Treatment, Corrosion Inhibitors, Neutralizing Amine.
1,4-Oxazinane is used Antioxidants, Separating Agents, Self polishing waxes and polishes, Surface tension depressor, Scrubbing organic sulphur compounds from fuel gas.
1,4-Oxazinane is used Purification procedures, Biocide, Bacteriostatic/ bactericidal properties, Anti-fungal, Agriculture, Emulsifier.
1,4-Oxazinane's can be seen in following applications like 1,4-Oxazinane functions as an intermediate in the production of rubber chemicals even as optical brighteners.
1,4-Oxazinane acts as an effective corrosion inhibitor in steam boiler systems.
1,4-Oxazinane can utilized as pharma chemicals and antioxidants for lubricating oils.
1,4-Oxazinane can be used as emulsifiers in waxes and polishes processing industries.
1,4-Oxazinane is a very good pH adjuster which is very effective for nuclear power plants.
One more reason for 1,4-Oxazinane to be used is because of 1,4-Oxazinane's rate of vapourization which is quiet similar to water; so what happens is when 1,4-Oxazinane is added to water, 1,4-Oxazinane disperses accordingly in water in both of its liquid and vapour phases.
1,4-Oxazinane is used in the following products: adhesives and sealants, coating products, inks and toners, anti-freeze products, biocides (e.g. disinfectants, pest control products), fuels, photo-chemicals, polishes and waxes, washing & cleaning products and paper chemicals and dyes.
1,4-Oxazinane is used Indoor use (e.g. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use.
Outdoor use of 1,4-Oxazinane in long-life materials with low release rate (e.g. metal, wooden and plastic construction and building materials), outdoor use in long-life materials with high release rate (e.g. tyres, treated wooden products, treated textile and fabric, brake pads in trucks or cars, sanding of buildings (bridges, facades) or vehicles (ships))
Indoor use of 1,4-Oxazinane in long-life materials with low release rate (e.g. flooring, furniture, toys, construction materials, curtains, foot-wear, leather products, paper and cardboard products, electronic equipment) and indoor use in long-life materials with high release rate (e.g. release from fabrics, textiles during washing, removal of indoor paints).
1,4-Oxazinane can also be used as an ingredient in fungicides and bactericides.
1,4-Oxazinane is used in the following products: washing & cleaning products.
1,4-Oxazinane can be found in complex articles, with no release intended: Vehicles (e.g. personal vehicles, delivery vans, boats, trains, metro or planes)), machinery, mechanical appliances and electrical/electronic products e.g. refrigerators, washing machines, vacuum cleaners, computers, telephones, drills, saws, smoke detectors, thermostats, radiators, large-scale stationary industrial tools), vehicles and machinery, mechanical appliances and electrical/electronic products (e.g. computers, cameras, lamps, refrigerators, washing machines).
1,4-Oxazinane is used for the manufacture of: chemicals and fabricated metal products.
1,4-Oxazinane can be found in products with material based on: metal (e.g. cutlery, pots, toys, jewellery), metal used for large surface area articles (e.g. construction and building materials used for roof sheets, pipes), metal used for packaging (excluding food packaging), metal used for furniture & furnishings (e.g. outdoor furniture, benches, tables), wood used for large surface area articles (e.g. construction and building materials for floors, claddings), wood used for furniture & furnishings and wood.
1,4-Oxazinane is used in the following areas: building & construction work.
1,4-Oxazinane is used in the following products: adhesives and sealants, coating products, fillers, putties, plasters, modelling clay, finger paints, metal surface treatment products, non-metal-surface treatment products and inks and toners.
Industrial use of 1,4-Oxazinane: formulation of mixtures, formulation in materials, in processing aids at industrial sites, in the production of articles, as processing aid and of substances in closed systems with minimal release.
1,4-Oxazinane is used in the following products: washing & cleaning products, pH regulators and water treatment products and polymers.
1,4-Oxazinane has an industrial use resulting in manufacture of another substance (use of intermediates).
1,4-Oxazinane is used as a solvent, rubber accelerator, corrosion inhibitor, boiler water additive, and brightener for detergents.
1,4-Oxazinane is used as an important building block mainly in rubber, optical brighteners, pharma, agro industry, solvent for the fibre industry.
Applications of 1,4-Oxazinane:
Applications of 1,4-Oxazinane include, inter alia, water treatment.
1,4-Oxazinane is a frequently used heterocycle in medicinal chemistry and a privileged structural component of bioactive molecules.
1,4-Oxazinane is very important solvent used commonly in industrial production, organic synthesis and pesticides production etc.
1,4-Oxazinane can be used as a buffer component in the separation of peptides and pathogenic lipopolysaccharides during on-line chromatographic preconcentration coupled to capillary zone electrophoresis–electrospray mass spectrometry (cPC–CZE–ES-MS) analysis from colony isolates.
Cleaning products:
1,4-Oxazinane is used as an abrasive cleaner and a brightening agent in cleaning solutions and heavy duty detergents.
1,4-Oxazinane is particularly useful in dry cleaning.
As an emulsifier, 1,4-Oxazinane helps industrial waxes and polishes maintain their consistency.
Coatings and Sealants:
1,4-Oxazinane is the active ingredient in the resin base for curable inks, coatings, and adhesives.
1,4-Oxazinane also is an accelerant for the vulcanization of rubber, including rubber seals.
Metalwork:
1,4-Oxazinane serves as a component in dual lubricant and cooling fluids that are used to keep metal from getting excessively hot while 1,4-Oxazinane is machined, ground, and crafted into different pieces for use.
1,4-Oxazinane can also be applied as an anti-corrosive for steel and tin.
Heating and Cooling:
1,4-Oxazinane helps stabilize heat transfer fluids– conductive liquids in heating systems such as boiler water.
One of the chief ways 1,4-Oxazinane does this is by acting as a base that neutralizes acid contamination in heat transfer systems.
This keeps the heat transferring liquid from becoming corrosive and damaging the heating systems.
Paper and cardboard:
Due to 1,4-Oxazinane's fungicidal nature, many paper and cardboard products have a morpholine coating that prevents mildew and rot.
1,4-Oxazinane also reduces foaming, a common reaction in paper and cardboard production, acting as an anti-foaming agent and paper mills.
Industrial applications:
1,4-Oxazinane is a common additive, in parts per million concentrations, for pH adjustment in both fossil fuel and nuclear power plant steam systems.
1,4-Oxazinane is used because 1,4-Oxazinane's volatility is about the same as water, so once 1,4-Oxazinane is added to the water, its concentration becomes distributed rather evenly in both the water and steam phases.
1,4-Oxazinane's pH-adjusting qualities then become distributed throughout the steam plant to provide corrosion protection.
1,4-Oxazinane is often used in conjunction with low concentrations of hydrazine or ammonia to provide a comprehensive all-volatile treatment chemistry for corrosion protection for the steam systems of such plants.
1,4-Oxazinane decomposes reasonably slowly in the absence of oxygen at the high temperatures and pressures in these steam systems.
Organic synthesis:
1,4-Oxazinane undergoes most chemical reactions typical for other secondary amines, though the presence of the ether oxygen withdraws electron density from the nitrogen, rendering it less nucleophilic (and less basic) than structurally similar secondary amines such as piperidine.
For this reason, 1,4-Oxazinane forms a stable chloramine.
1,4-Oxazinane is commonly used to generate enamines.
1,4-Oxazinane is widely used in organic synthesis.
For example, 1,4-Oxazinane is a building block in the preparation of the antibiotic linezolid, the anticancer agent gefitinib (Iressa) and the analgesic dextromoramide.
In research and in industry, the low cost and polarity of morpholine lead to 1,4-Oxazinane's common use as a solvent for chemical reactions.
Agriculture:
As a fruit coating:
1,4-Oxazinane is used as a chemical emulsifier in the process of waxing fruit.
Naturally, fruits make waxes to protect against insects and fungal contamination, but this can be lost as the fruit is cleaned.
A small amount of new wax is applied to replace it.
1,4-Oxazinane is used as an emulsifier and solubility aid for shellac, which is used as a wax for fruit coating.
As a component in fungicides:
1,4-Oxazinane derivatives used as agricultural fungicides in cereals are known as ergosterol biosynthesis inhibitors.
Additives and Catalysts:
1,4-Oxazinane is used as an additive for adjusting pH in nuclear power plant steam systems and fossil fuels.
1,4-Oxazinane is also used for corrosion protection of boiler water stream systems in chemical plants.
1,4-Oxazinane is used for the preparation of alumina catalysts.
They are prepared in the form of a gelling agent for the treatment of hydrocarbons.
Organic synthesis:
1,4-Oxazinane is commonly used for the synthesis of enamines.
1,4-Oxazinane is an important ingredient to produce linezolid, which is an antibiotic used for treating infections caused by gram-positive bacteria.
1,4-Oxazinane is also used in gefitinib, a cancer drug. Morpholine is also used in the analgesic dextromoramide.
1,4-Oxazinane salts such as morpholine hydrochloride are used for the organic synthesis of intermediates.
Agriculture:
1,4-Oxazinane in the form of a chemical emulsifier is used for the protection of fruits.
This is achieved through the process of waxing, where a wax layer is applied onto the fruits.
This coating protects fruits from insects and fungal infestation.
Ergosterol biosynthesis inhibitors are the derivatives of morpholine, which are used as fungicides in cereals.
Some of the morpholine based fungicides used on cereal crops are amorolfine, fenpropimorph and tridemorph.
Rubber Industry:
1,4-Oxazinane is widely used as an intermediate in the rubber industry to produce rubber vulcanization accelerators such as DTOS, MDS and NOBS.
Over 50% of the demand for 1,4-Oxazinane is from rubber vulcanization accelerators, and about 30% of rubber vulcanization accelerators are used for NOBS.
Metal corrosion inhibitors:
1,4-Oxazinane is used as a corrosion inhibitor for metals such as copper, iron, lead, zinc and other metals.
1,4-Oxazinane is widely used in areas such as automobiles, mechanical instruments and medical equipment.
1,4-Oxazinane in 1,4-Oxazinane's gas-liquid state has lower toxicity towards the environment when compared to its forerunners like cyclohexylamine and dicyclohexylamine nitrite.
Manufacturing of 1,4-Oxazinane:
1,4-Oxazinane is used in the manufacture of paper, glass, soap, detergent, dye and synthetic fibre.
1,4-Oxazinane is used to manufacture analysis reagents for nitrogen determination.
1,4-Oxazinane also finds applications in pharmaceuticals, tanning, textiles, household care and ceramics industries.
There are three common methods for making 1,4-Oxazinane.
Dehydration of Diethanolamine With Acid:
In this process, 1,4-Oxazinane is derived from diethanolamine, an organic compound created by mixing ethylene oxide and ammonia.
A strong acid is heated to at least 150 Celsius and added to the diethanolamine.
This reaction is then neutralized with an alkali or other base.
The resulting liquid contains morpholine, which is distilled through the use of a solvent.
This is ultimately a “dehydration” process in chemical terms, because the hydrogen and oxygen atoms that make water are removed from diethanolamine’s structure, leaving behind morpholine molecules.
Hydrogenating and Vaporizing Diethylene Glycol and Ammonia:
This method, developed in the 1980s, has become the most common way to make 1,4-Oxazinane, due to its speed and efficiency.
Diethylene glycol and ammonia are combined with hydrogen.
A catalyst substance (typically a metal such as copper, nickel or cobalt) is also in the mix to trigger the hydrogenation– the molecular infusion of hydrogen– of the diethylene glycol and ammonia.
The whole mixture is then heated to between 150 and 400 Celsius and pressurized.
The resulting chemical reaction creates a solution that contains morpholine molecules.
The 1,4-Oxazinane is then extracted from the mixture by vaporization.
The 1,4-Oxazinane escapes in the vapor and is collected. (In chemistry, this kind of vaporization extraction method is also known as a stripping operation.)
Combining Ether and Dry Ammonia:
Here, ether, specifically a bis (2-chloroethy1) ether compound is mixed with dry, water-free ammonia and a chemically compatible solvent.
These chemicals are stored together in warm but not boiling temperatures of 50 Celsius for 24 hours.
The mix is stored in a completely sealed, sturdily rigid container– a closed vessel in chemistry terms– so that the mixture doesn’t increase in volume while the chemical and heat reactions happen.
Once the vessel is unsealed, excess ammonia is vented, and the reaction leaves behind ammonium chloride and 1,4-Oxazinane.
The 1,4-Oxazinane is then distilled from the solution.
Benefits of 1,4-Oxazinane:
Prevents stress cracking corrosion
Reduces blow down requirement
Does not add TDS of the water
Returns to the feed line with the condensate return so raises the feed water pH
Saves power & downtime
Versatile applications
Handling And Storage of 1,4-Oxazinane:
Precautions for safe handling:
Advice on safe handling:
Work under hood.
Hygiene measures:
Wash hands and face after working with substance.
Conditions for safe storage, including any incompatibilities:
Storage conditions:
Keep container tightly closed in a dry and well-ventilated place.
Keep locked up or in an area accessible only to qualified or authorized persons.
Stability And Reactivity of 1,4-Oxazinane:
Chemical stability:
1,4-Oxazinane is chemically stable under standard ambient conditions (room temperature).
First Aid Measures of 1,4-Oxazinane:
After inhalation:
Fresh air.
Immediately call in physician.
In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with water/ shower.
Call a physician immediately.
After eye contact:
Rinse out with plenty of water.
Immediately call in ophthalmologist.
Remove contact lenses.
After swallowing:
Call a physician immediately.
Do not attempt to neutralise.
Fire Fighting Measures of 1,4-Oxazinane:
Extinguishing media:
Suitable extinguishing media:
Water
Foam
Carbon dioxide (CO2)
Dry powder
Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.
Accidental Release Measures of 1,4-Oxazinane:
Environmental precautions:
Do not let product enter drains.
Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Take up carefully with liquid-absorbent material.
Dispose of properly.
Exposure Controls/Personal Protection of 1,4-Oxazinane:
Exposure controls:
Personal protective equipment:
Eye/face protection:
Use equipment for eye protection.
Tightly fitting safety goggles.
Skin protection:
Full contact:
Material: butyl-rubber
Minimum layer thickness: 0,7 mm
Break through time: 480 min
Splash contact:
Material: Viton
Minimum layer thickness: 0,7 mm
Break through time: 60 min
Control of environmental exposure:
Do not let product enter drains.
Identifiers of 1,4-Oxazinane:
Chemical Name: 1,4-Oxazinane
Common Name: Morpholine
IUPAC Name: Morpholine
CAS Number: 110-91-8
Molecular Formula: C4H9NO
Molecular Weight: 87.12 g/mol
SMILES Notation: C1COCCN1
InChI Key: JNJLPJSFVDLJIP-UHFFFAOYSA-N
EINECS Number: 203-815-1
UN Number: 2054 (for transportation)
RTECS Number: QD6475000
Properties of 1,4-Oxazinane:
Molecular Weight: 88.11
XLogP3: -0.9
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Rotatable Bond Count: 0
Exact Mass: 88.071768746
Monoisotopic Mass: 88.071768746
Topological Polar Surface Area: 21.3 Ų
Heavy Atom Count: 6
Complexity: 34.5
Isotope Atom Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Covalently-Bonded Unit Count: 1
Compound Is Canonicalized: Yes
Molar mass: 87.122 g·mol−1
Appearance: Colorless liquid
Odor: Weak ammonia-like or fish-like[3]
Density: 1.007 g/cm3
Melting point: −5 °C (23 °F; 268 K)
Boiling point: 129 °C (264 °F; 402 K)
Solubility in water: miscible
Vapor pressure: 6 mmHg (20 °C)
Acidity (pKa): 8.36 (of conjugate acid)
Magnetic susceptibility (χ): -55.0·10−6 cm3/mol
Appearance (Clarity): Clear
Appearance (Colour): Colourless
Appearance (Form): Liquid
Assay (GC): min. 99.5%
Density (g/ml) @ 20°C: 0.999-1.000
Refractive Index (20°C): 1.454-1.455
Boiling Range: 127-129°C
Non Volatile Matter: max. 0.01%
Iron (Fe): max. 0.00005%
Heavy Metals (Pb): max. 0.0001%
Copper (Cu): max. 0.00001%
Water (KF): max. 0.1%
Water Solubility: 691 g/L
logP: -0.75
logP: -0.41
logS: 0.9
pKa (Strongest Basic): 8.51
Physiological Charge: 1
Hydrogen Acceptor Count: 2
Hydrogen Donor Count: 1
Polar Surface Area: 21.26 Ų
Rotatable Bond Count: 0
Refractivity: 23.77 m³·mol⁻¹
Polarizability: 9.47 ų
Number of Rings: 1
Bioavailability: Yes
Rule of Five: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No
Specifications of 1,4-Oxazinane:
Appearance: Clear, colorless liquid
Odor: Ammonia-like
Purity: ≥ 99.0%
Density: 1.00 g/cm³ at 20°C
Boiling Point: 128.9°C
Melting Point: -4.9°C
Solubility: Miscible with water, ethanol, and most organic solvents
pH (10% aqueous solution): 9-11
Refractive Index: 1.454-1.456 at 20°C
Flash Point: 38°C (100°F) (closed cup)
Impurities:
Water Content: ≤ 0.3%
Free Amine: ≤ 0.1%
Color (APHA): ≤ 10
Microbiological Properties:
Total Plate Count: Not applicable (typically not specified for chemical solvents)
Yeast and Mold: Not applicable (typically not specified for chemical solvents)
Alternative Parents of 1,4-Oxazinane:
Oxacyclic compounds
Dialkylamines
Dialkyl ethers
Azacyclic compounds
Organopnictogen compounds
Hydrocarbon derivatives
Substituents of 1,4-Oxazinane:
Morpholine
Oxacycle
Azacycle
Secondary amine
Ether
Secondary aliphatic amine
Dialkyl ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
Aliphatic heteromonocyclic compound