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Details

Stereochemistry ACHIRAL
Molecular Formula C4H8Cl2N2O
Molecular Weight 171.025
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Nitrosobis(2-chloroethyl)amine

SMILES

ClCCN(CCCl)N=O

InChI

InChIKey=VWQXNTZBSSUTAB-UHFFFAOYSA-N
InChI=1S/C4H8Cl2N2O/c5-1-3-8(7-9)4-2-6/h1-4H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N-Nitrosobis(2-chloroethyl)amine
Common Name English
2-Chloro-N-(2-chloroethyl)-N-nitrosoethanamine
Preferred Name English
Ethanamine, 2-chloro-N-(2-chloroethyl)-N-nitroso-
Systematic Name English
Code System Code Type Description
CAS
67856-68-2
Created by admin on Wed Apr 02 17:10:49 GMT 2025 , Edited by admin on Wed Apr 02 17:10:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID10218098
Created by admin on Wed Apr 02 17:10:49 GMT 2025 , Edited by admin on Wed Apr 02 17:10:49 GMT 2025
PRIMARY
PUBCHEM
45205
Created by admin on Wed Apr 02 17:10:49 GMT 2025 , Edited by admin on Wed Apr 02 17:10:49 GMT 2025
PRIMARY
FDA UNII
BF4R876JMB
Created by admin on Wed Apr 02 17:10:49 GMT 2025 , Edited by admin on Wed Apr 02 17:10:49 GMT 2025
PRIMARY
NIH
NCATS
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