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Details

Stereochemistry ACHIRAL
Molecular Formula C13H17Cl2NO2
Molecular Weight 290.186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[Bis(2-chloroethyl)amino]benzenepropanoic acid

SMILES

OC(=O)CCC1=CC=CC(=C1)N(CCCl)CCCl

InChI

InChIKey=DZZLSUVOCHEQJL-UHFFFAOYSA-N
InChI=1S/C13H17Cl2NO2/c14-6-8-16(9-7-15)12-3-1-2-11(10-12)4-5-13(17)18/h1-3,10H,4-9H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula C13H17Cl2NO2
Molecular Weight 290.186
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 12:44:35 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:35 GMT 2023
Record UNII
J5C42SUL4H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[Bis(2-chloroethyl)amino]benzenepropanoic acid
Systematic Name English
Benzenepropanoic acid, 3-(bis(2-chloroethyl)amino)-
Systematic Name English
MP-553
Code English
NSC-41457
Code English
m-(Bis(2-chloroethyl)amino)hydrocinnamic acid
Systematic Name English
Hydrocinnamic acid, m-(bis(2-chloroethyl)amino)-
Common Name English
Code System Code Type Description
FDA UNII
J5C42SUL4H
Created by admin on Sat Dec 16 12:44:35 GMT 2023 , Edited by admin on Sat Dec 16 12:44:35 GMT 2023
PRIMARY
PUBCHEM
20246
Created by admin on Sat Dec 16 12:44:35 GMT 2023 , Edited by admin on Sat Dec 16 12:44:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID80195302
Created by admin on Sat Dec 16 12:44:35 GMT 2023 , Edited by admin on Sat Dec 16 12:44:35 GMT 2023
PRIMARY
CAS
4252-25-9
Created by admin on Sat Dec 16 12:44:35 GMT 2023 , Edited by admin on Sat Dec 16 12:44:35 GMT 2023
PRIMARY
NSC
41457
Created by admin on Sat Dec 16 12:44:35 GMT 2023 , Edited by admin on Sat Dec 16 12:44:35 GMT 2023
PRIMARY