Basic information
- CAS
18300-41-9- Standard SMILES
CC(N)CCCC#N- InChIKey
HTXLVBCGHGHRHL-UHFFFAOYSA-N- Molecular formula
- C6H12N2
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.10004839
Names & identifiers
- Preferred name
- 5-Aminohexanenitrile
- IUPAC
- 5-aminohexanenitrile
- English name
- 5-Aminohexanenitrile
- Molecular weight
- 0
Names & synonyms
5-aminohexanenitrile5-Aminocapronitrileepsilon-AminocapronitrileHEXANENITRILE, 5-AMINO-18300-41-90764Q8625S.DELTA.-AMINOCAPRONITRILEDTXSID10939670UNII-0764Q8625SRefChem:101988DELTA-AMINOCAPRONITRILEDTXCID501368161
Show more names
SCHEMBL116881SCHEMBL8851266Q27236266
Database identifiers
- CAS
18300-41-9- PubChem CID
- 29023
- DTXSID
DTXSID10939670- UNII
- 0764Q8625S
- Nikkaji
- J49.442I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 89.9
Physicochemical properties
- FDA UNII
- 764 Q8625S · 0764Q8625S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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