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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18Cl3NO2
Molecular Weight 326.647
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[Bis(2-chloropropyl)amino]methyl]-6-chloro-1,3-benzenediol

SMILES

CC(Cl)CN(CC(C)Cl)CC1=C(O)C=C(O)C(Cl)=C1

InChI

InChIKey=ZUFJAUDVFHWSNC-UHFFFAOYSA-N
InChI=1S/C13H18Cl3NO2/c1-8(14)5-17(6-9(2)15)7-10-3-11(16)13(19)4-12(10)18/h3-4,8-9,18-19H,5-7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18Cl3NO2
Molecular Weight 326.647
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:59:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:19 GMT 2025
Record UNII
4JLT8J39PT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-81417
Preferred Name English
4-[[Bis(2-chloropropyl)amino]methyl]-6-chloro-1,3-benzenediol
Systematic Name English
Resorcinol, 4-((bis(2-chloropropyl)amino)methyl)-6-chloro-
Systematic Name English
1,3-Benzenediol, 4-[[bis(2-chloropropyl)amino]methyl]-6-chloro-
Systematic Name English
Code System Code Type Description
PUBCHEM
96601
Created by admin on Tue Apr 01 19:59:19 GMT 2025 , Edited by admin on Tue Apr 01 19:59:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID40994994
Created by admin on Tue Apr 01 19:59:19 GMT 2025 , Edited by admin on Tue Apr 01 19:59:19 GMT 2025
PRIMARY
NSC
81417
Created by admin on Tue Apr 01 19:59:19 GMT 2025 , Edited by admin on Tue Apr 01 19:59:19 GMT 2025
PRIMARY
CAS
73855-51-3
Created by admin on Tue Apr 01 19:59:19 GMT 2025 , Edited by admin on Tue Apr 01 19:59:19 GMT 2025
PRIMARY
FDA UNII
4JLT8J39PT
Created by admin on Tue Apr 01 19:59:19 GMT 2025 , Edited by admin on Tue Apr 01 19:59:19 GMT 2025
PRIMARY