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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13ClN2O3
Molecular Weight 244.675
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-

SMILES

COC1=CC=C(C=C1CNCCCl)[N+]([O-])=O

InChI

InChIKey=APKWZCHXKUTRGW-UHFFFAOYSA-N
InChI=1S/C10H13ClN2O3/c1-16-10-3-2-9(13(14)15)6-8(10)7-12-5-4-11/h2-3,6,12H,4-5,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H13ClN2O3
Molecular Weight 244.675
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 Sat Dec 16 20:13:45 GMT 2023
Edited
by admin
on Sat Dec 16 20:13:45 GMT 2023
Record UNII
EY6EN95ZQM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzylamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
Systematic Name English
Benzenemethanamine, N-(2-chloroethyl)-2-methoxy-5-nitro-
Systematic Name English
2-Chloro-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Systematic Name English
N-(2-Chloroethyl)-2-methoxy-5-nitrobenzenemethanamine
Systematic Name English
Code System Code Type Description
PUBCHEM
41915
Created by admin on Sat Dec 16 20:13:45 GMT 2023 , Edited by admin on Sat Dec 16 20:13:45 GMT 2023
PRIMARY
CAS
56538-01-3
Created by admin on Sat Dec 16 20:13:45 GMT 2023 , Edited by admin on Sat Dec 16 20:13:45 GMT 2023
PRIMARY
EPA CompTox
DTXSID60205099
Created by admin on Sat Dec 16 20:13:45 GMT 2023 , Edited by admin on Sat Dec 16 20:13:45 GMT 2023
PRIMARY
FDA UNII
EY6EN95ZQM
Created by admin on Sat Dec 16 20:13:45 GMT 2023 , Edited by admin on Sat Dec 16 20:13:45 GMT 2023
PRIMARY