2-Amino-2,4-dimethylpentanenitrile
Basic information
- CAS
26842-43-3- Standard SMILES
CC(C)CC(C)(N)C#N- InChIKey
PRTTZMKZMXANFG-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Overview
2-amino-2,4-dimethyl-pentane nitrile appears as a clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Produces toxic fumes during combustion.
Names & identifiers
- Preferred name
- 2-Amino-2,4-dimethylpentanenitrile
- IUPAC
- 2-amino-2,4-dimethylpentanenitrile
- English name
- 2-amino-2,4-dimethylvaleronitrile
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
2-Amino-2,4-dimethylpentanenitrileMibkan2-Amino-2,4-dimethylvaleronitrileVazo 52ANDTXSID7044899Pentanenitrile, 2-amino-2,4-dimethyl-EINECS 248-039-4Valeronitrile, 2-amino-2,4-dimethyl-UNII-M1687739RIM1687739RIDTXCID5024899RefChem:85065
Show more names
Pentanenitrile, 2-amino-2,4-dimethyl.
2-AMINO-2,4-DIMETHYL-PENTANE NITRILE26842-43-3MFCD019383672-amino-2,4-dimethylpentanonitrileSCHEMBL7787399CHEMBL31869412,4-dimethyl-2-aminopentanenitrileTox21_301813
Database identifiers
- CAS
26842-43-3- PubChem CID
- 92251
- DTXSID
DTXSID7044899- ChEMBL
CHEMBL3186941- UNII
- M1687739RI
- EC Number
- 248-039-4
- Nikkaji
- J27.749E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Physical Description
2-amino-2,4-dimethyl-pentane nitrile appears as a clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Produces toxic fumes during combustion.
CBI
Physicochemical properties
- FDA UNII
- 1687739 RI · M1687739RI
- EPA Substance Registry System
- 2 · 2-Amino-2,4-dimethylpentanenitrile (26842-43-3)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317
- Precautionary statements
- 280 · P280-P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25-43
- Safety Statements
- 36 · 36/37-45
- TSCA
- TSCA listed
- HS Code
- 2926907090 · 2926907090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P262, P264, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Pentanenitrile, 2-amino-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanenitrile, 2-amino-2,4-dimethyl- 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)
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
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.
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Safety data
- tsca
- TSCA listed
- hs_code
- 2926907090
- risk_code
- 25-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37-45
- Hazard statements
- H301-H317
- Precautionary statements
- P280-P301+P310
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Pentanenitrile, 2-amino-2,4-dimethyl-: ACTIVE
Applications
General DescriptionA clear red liquid with an ammonia-like odor. Less dense than water and insoluble in water. Toxic by ingestion, inhalation and skin absorption. Flash point 51°F. Produces toxic fumes during combustion.
Related reactions
5 records
Compound notes
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