Malononitrile mustard

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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

Structure Search

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

Malononitrile mustard

Common Name

English

NSC-48841

Code

English

p-(Bis-(β-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 Sat Dec 16 12:41:27 GMT 2023 , Edited by admin on Sat Dec 16 12:41:27 GMT 2023

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EPA CompTox

DTXSID70194965

Created by admin on Sat Dec 16 12:41:27 GMT 2023 , Edited by admin on Sat Dec 16 12:41:27 GMT 2023

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PUBCHEM

20187

Created by admin on Sat Dec 16 12:41:27 GMT 2023 , Edited by admin on Sat Dec 16 12:41:27 GMT 2023

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NSC

48841

Created by admin on Sat Dec 16 12:41:27 GMT 2023 , Edited by admin on Sat Dec 16 12:41:27 GMT 2023

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FDA UNII

J98WA78ELK

Created by admin on Sat Dec 16 12:41:27 GMT 2023 , Edited by admin on Sat Dec 16 12:41:27 GMT 2023

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SUBSTANCE RECORD


					J98WA78ELK

Malononitrile mustard