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Details

Stereochemistry ACHIRAL
Molecular Formula C15H21Cl2NO2
Molecular Weight 318.239
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[Bis(2-chloroethyl)amino]benzenepentanoic acid

SMILES

OC(=O)CCCCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=YQMOTGVJXOHLKM-UHFFFAOYSA-N
InChI=1S/C15H21Cl2NO2/c16-9-11-18(12-10-17)14-7-5-13(6-8-14)3-1-2-4-15(19)20/h5-8H,1-4,9-12H2,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H21Cl2NO2
Molecular Weight 318.239
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 20:00:34 GMT 2023
Edited
by admin
on Sat Dec 16 20:00:34 GMT 2023
Record UNII
TDC9VU3T9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[Bis(2-chloroethyl)amino]benzenepentanoic acid
Systematic Name English
Bis(2-chloroethyl)aminophenyl)pentanoic acid, 5-(4-
Common Name English
NSC-74747
Code English
Benzenepentanoic acid, 4-[bis(2-chloroethyl)amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
TDC9VU3T9L
Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID70214778
Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023
PRIMARY
NSC
74747
Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023
PRIMARY
PUBCHEM
96446
Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023
PRIMARY
CAS
64508-90-3
Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023
PRIMARY