N-(2-chloroethyl)-N-nitrosoacetamide

HCID 47073

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Basic information

CAS: 64057-51-8
Standard SMILES: CC(=O)N(CCCl)N=O
InChIKey: HPVMVBSBKXPUMG-UHFFFAOYSA-N
Molecular formula: C4H7ClN2O2
Average molar mass: 150.56 g/mol
Monoisotopic mass: 150.0196052

Overview

structure given in first source

Names & identifiers

Preferred name: N-(2-chloroethyl)-N-nitrosoacetamide
IUPAC: N-(2-chloroethyl)-N-nitrosoacetamide
English name: N-(2-chloroethyl)-N-nitrosoacetamide
Molecular formula: C4H7ClN2O2
Molecular weight: 150.56

Names & synonyms

N-(2-Chloroethyl)-N-nitrosoacetamide64057-51-8DTXSID60214202CENURefChem:161709DTXCID20136693BRN 1766112N-(beta-Chloroethyl)-N-nitrosoacetamideACETAMIDE, N-(2-CHLOROETHYL)-N-NITROSO-CHEMBL354824SCHEMBL3347031AKOS006279880

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DB-308500

Database identifiers

CAS: 64057-51-8
PubChem CID: 47073
DTXSID: DTXSID60214202
ChEMBL: CHEMBL354824
Nikkaji: J74.839K

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 117

Physicochemical properties

Density: 1.5112 · 1.5112 (rough estimate)
refractive index: 1.55 · 1.5500 (estimate)

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Compound notes

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