U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H7ClN2O3
Molecular Weight 166.563
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of methyl N-(2-chloroethyl)-N-nitrosocarbamate

SMILES

COC(=O)N(CCCl)N=O

InChI

InChIKey=ZIVWROYTZSSKDC-UHFFFAOYSA-N
InChI=1S/C4H7ClN2O3/c1-10-4(8)7(6-9)3-2-5/h2-3H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H7ClN2O3
Molecular Weight 166.563
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:36:47 GMT 2025
Edited
by admin
on Tue Apr 01 19:36:47 GMT 2025
Record UNII
G43VQ2XGG3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-315840
Preferred Name English
methyl N-(2-chloroethyl)-N-nitrosocarbamate
Systematic Name English
CARBAMIC ACID, (2-CHLOROETHYL)NITROSO-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60159588
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY
NSC
315840
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY
CAS
13589-15-6
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY
WIKIPEDIA
KB-16
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY
FDA UNII
G43VQ2XGG3
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY
PUBCHEM
26121
Created by admin on Tue Apr 01 19:36:47 GMT 2025 , Edited by admin on Tue Apr 01 19:36:47 GMT 2025
PRIMARY