Bis(2-cyanoethyl)nitrosamine

HCID 70692

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Basic information

CAS: 1116-82-1
Standard SMILES: N#CCCN(CCC#N)N=O
InChIKey: MHVHMDVFCDHLPF-UHFFFAOYSA-N
Molecular formula: C6H8N4O
Average molar mass: 152.15 g/mol
Monoisotopic mass: 152.06981089

Names & identifiers

Preferred name: Bis(2-cyanoethyl)nitrosamine
IUPAC: N,N-bis(2-cyanoethyl)nitrous amide

Names & synonyms

Bis(2-cyanoethyl)nitrosamineNitrosoiminodipropionitrilePropanenitrile, 3,3'-(nitrosoimino)bis-6JCU32R764NSC 23712NSC-23712UNII-6JCU32R764DTXSID101496963,3'-(NITROSOIMINO)BIS(PROPANENITRILE)RefChem:199887DTXCID1072187Propanenitrile, 3,3'-(nitrosoimino)bis-(9CI)

Show more names

MHVHMDVFCDHLPF-UHFFFAOYSA-N1116-82-1N,N-bis(2-cyanoethyl)nitrous amidePropionitrile, 3,3'-nitrosiminodi-NSC23712Nitrosamines Impurity 34Propanenitrile, 3,3'-(nitrosoimino)bis- (9CI)nitrosobis(2 cyanoethyl)amine

Database identifiers

CAS: 1116-82-1
PubChem CID: 70692
DTXSID: DTXSID10149696
ChEMBL: CHEMBL354384
UNII: 6JCU32R764
Nikkaji: J1.603.862H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 187

Experimental & physicochemical properties

LogP0.08

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