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Basic information
- CAS
2432-74-8- Standard SMILES
N#CCCCCCN- InChIKey
KBMSFJFLSXLIDJ-UHFFFAOYSA-N- Molecular formula
- C6H12N2
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.10004838
Names & identifiers
- Preferred name
- 6-Aminohexanenitrile
- IUPAC
- 6-aminohexanenitrile
- English name
- 6-Amino capronitrile
- Molecular formula
- C6H12N2
- Molecular weight
- 112.17
Names & synonyms
6-AMINOHEXANENITRILE2432-74-86-AminocapronitrileHexanenitrile, 6-amino-Hexanenitrile, amino-omega-Aminocapronitrile6-AminohexanonitrileHSDB 5879EINECS 219-409-2NSC 510NSC-510TGU4NDJ80Y
Show more names
ε-Aminocapronitrilew-AminocapronitrileTIMTEC-BB SBB0084866-amino-hexanenitril6-Amino capronitrile6-azanylhexanenitrile
DTXSID60624166-AMINOHEXANENITRILE [HSDB]6aminocapronitrile6AminohexanonitrileomegaAminocapronitrileHexanenitrile, 6aminoRefChem:540346DTXCID1037060
Database identifiers
- CAS
2432-74-8、31196-10-8- PubChem CID
- 17079
- DTXSID
DTXSID6062416- UNII
- TGU4NDJ80Y
- EC Number
- 219-409-2
- Nikkaji
- J56.066I
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 79.8
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
Physical Description
Liquid
Colorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- -31.3 °C · -31.3°C
- Boiling point
- 200.13 °C · 200.13°C (rough estimate)
- Density
- 0.8929 · 0.8929 (rough estimate)
- refractive index
- 1.4475 · 1.4475
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 10.38 · 10.38±0.10(Predicted)
- color
- Colourless to Pale Yellow
- InChI
- InChI=1S/C6H12N2/c7-5-3-1-2-4-6-8/h1-5,7H2
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hexanenitrile, 6-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanenitrile, 6-amino- 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)
Hazards SummaryIn lethal-dose studies of rabbits by skin absorption, causes somnolence and acute pulmonary edema; [RTECS] An irritant; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- tsca
- TSCA listed
- rtecs
- MO4085000
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
Uses
Not commercially used or produced in the US; [HSDB]
NO EVIDENCE OF COMMERCIAL USE IN U.S.
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN U.S.
(1981) NOT PRODUCED COMMERCIALLY IN U.S.
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexanenitrile, 6-amino-: ACTIVE
Hexanenitrile, amino-: INACTIVE
Applications
Uses6-Amino capronitrile is a compound useful in organic synthesis and other chemical processes. It can be an alternative monomer for the nylon 6 synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
7 records
Compound notes
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