Basic information
- CAS
4475-95-0- Standard SMILES
CCC(C)(N)C#N- InChIKey
JCLSEQJEXYHVTC-UHFFFAOYSA-N- Molecular formula
- C5H10N2
- Average molar mass
- 98.15 g/mol
- Monoisotopic mass
- 98.08439832
Overview
2-amino-2-methyl-butane nitrile appears as a yellow liquid with an ammonia-like odor. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
Names & identifiers
- Preferred name
- 2-Amino-2-methylbutyronitrile
- IUPAC
- 2-amino-2-methylbutanenitrile
- English name
- 2-amino-2-methylbutyronitrile
- Molecular formula
- C5H10N2
- Molecular weight
- 98.15
Names & synonyms
2-Amino-2-methylbutanenitrile2-Amino-2-methyl-butyronitrile2-Amino-2-methylbutyronitrileButanenitrile, 2-amino-2-methyl-Vazo 67 aminonitrileUNII-O96C083460EINECS 224-752-6J205.859FDTXSID9027572O96C083460RefChem:85084DTXCID607572
Show more names
2-Methyl-2-aminobutyronitrile2-Amino-2-methylbutanenitrile.(DL)-2-aMino-2-Methylbutanenitrile
2-AMINO-2-METHYL-BUTANE NITRILE224-752-64475-95-0IsovalinonitrileMFCD09813645Butyronitrile, 2-amino-2-methyl-dimethyl-aminopropionitrile2-amino-2-methyl-butanenitrile
Database identifiers
- CAS
4475-95-0- PubChem CID
- 15576830
- DTXSID
DTXSID9027572- UNII
- O96C083460
- EC Number
- 224-752-6
- Nikkaji
- J205.859F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 99.9
Experimental & physicochemical properties
Physical Description
2-amino-2-methyl-butane nitrile appears as a yellow liquid with an ammonia-like odor. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
CBI
Physicochemical properties
- Boiling point
- 87.5 · 87.5-88.5℃ (55 Torr)
- Density
- 0.9 g/cm3 · 0.9 g/cm3
- refractive index
- 1.4302 · 1.4302 (589.3 nm 20℃)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 5.12 · 5.12±0.25(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 96 C083460 · O96C083460
- EPA Substance Registry System
- 2 · 2-Amino-2-methyl-butyronitrile (4475-95-0)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory Information
Butanenitrile, 2-amino-2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanenitrile, 2-amino-2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
DOT LabelFlammable Liquid Poison
Fire HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Health HazardsExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile
An amine/nitrile. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
Air and Water ReactionsHighly flammable. Insoluble in water.
Safety & protection
Fire FightingExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
First AidExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Butanenitrile, 2-amino-2-methyl-: ACTIVE
Applications
General DescriptionA yellow liquid with an ammonia-like odor. Flash point 35°F. About the same density as water and insoluble in water. Toxic by ingestion, absorption and inhalation. May irritate eyes. Produces toxic fumes during combustion. Used to make other chemicals.
Upstream & downstream products
Downstream products
Suppliers18 total
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
海门瑞一医药科技有限公司021-54718086 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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