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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H13Cl2N3
Molecular Weight 294.179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Malononitrile mustard

SMILES

ClCCN(CCCl)C1=CC=C(C=C(C#N)C#N)C=C1

InChI

InChIKey=GSEISJCBWGWLDH-UHFFFAOYSA-N
InChI=1S/C14H13Cl2N3/c15-5-7-19(8-6-16)14-3-1-12(2-4-14)9-13(10-17)11-18/h1-4,9H,5-8H2

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-48841
Preferred Name English
Malononitrile mustard
Common Name English
p-(Bis-(?-chloroethyl)-amino)benzylidene malononitrile
Systematic Name English
AI3-50194
Code English
Propanedinitrile, ((4-(bis(2-chloroethyl)amino)phenyl)methylene)-
Systematic Name English
Malononitrile, (p-(bis(2-chloroethyl)amino)benzylidene)-
Systematic Name English
Malononitrile, p-(bis(2-chloroethyl)amino)benzylidene
Systematic Name English
Code System Code Type Description
CAS
4213-30-3
Created by admin on Tue Apr 01 19:36:46 GMT 2025 , Edited by admin on Tue Apr 01 19:36:46 GMT 2025
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EPA CompTox
DTXSID70194965
Created by admin on Tue Apr 01 19:36:46 GMT 2025 , Edited by admin on Tue Apr 01 19:36:46 GMT 2025
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PUBCHEM
20187
Created by admin on Tue Apr 01 19:36:46 GMT 2025 , Edited by admin on Tue Apr 01 19:36:46 GMT 2025
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NSC
48841
Created by admin on Tue Apr 01 19:36:46 GMT 2025 , Edited by admin on Tue Apr 01 19:36:46 GMT 2025
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FDA UNII
J98WA78ELK
Created by admin on Tue Apr 01 19:36:46 GMT 2025 , Edited by admin on Tue Apr 01 19:36:46 GMT 2025
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