N-Butyl-N-(3-formylpropyl)nitrosamine

HCID 125751

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 70625-89-7
Standard SMILES: CCCCN(CCCC=O)N=O
InChIKey: VWRKNGCLVDCLRF-UHFFFAOYSA-N
Molecular formula: C8H16N2O2
Average molar mass: 172.22 g/mol
Monoisotopic mass: 172.12117776

Overview

structure given in first source

Names & identifiers

Preferred name: N-Butyl-N-(3-formylpropyl)nitrosamine
IUPAC: N-butyl-N-(4-oxobutyl)nitrous amide
English name: N-butyl-N-(3-formylpropyl)nitrosamine
Molecular formula: C8H16N2O2
Molecular weight: 172.22

Names & synonyms

BFPNN-Butyl-N-(3-formylpropyl)nitrosamine70625-89-7Butanal, 4-(butylnitrosoamino)-DTXSID80220901RefChem:163048DTXCID70143392N-butyl-N-(4-oxobutyl)nitrous amideSCHEMBL29607247

Database identifiers

CAS: 70625-89-7
PubChem CID: 125751
DTXSID: DTXSID80220901

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 128

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…