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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14Cl2N2
Molecular Weight 233.138
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenylenediamine mustard

SMILES

NC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=HWAVIYAFGOQVNJ-UHFFFAOYSA-N
InChI=1S/C10H14Cl2N2/c11-5-7-14(8-6-12)10-3-1-9(13)2-4-10/h1-4H,5-8,13H2

HIDE SMILES / InChI

Molecular Formula C10H14Cl2N2
Molecular Weight 233.138
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 Fri Dec 15 17:09:03 GMT 2023
Edited
by admin
on Fri Dec 15 17:09:03 GMT 2023
Record UNII
E3A7MQB6LC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenylenediamine mustard
Common Name English
Bis(2-chloroethyl)-p-phenylenediamine, N,N-
Common Name English
N1,N1-Bis(2-chloroethyl)-1,4-benzenediamine
Systematic Name English
N,N-Bis(2-chloroethyl)-1,4-phenylenediamine
Systematic Name English
1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-
Systematic Name English
N,N-Bis(2-chloroethyl)-p-phenylenediamine
Common Name English
1,4-Benzenediamine, N,N-bis(2-chloroethyl)-
Systematic Name English
Code System Code Type Description
CAS
2067-58-5
Created by admin on Fri Dec 15 17:09:03 GMT 2023 , Edited by admin on Fri Dec 15 17:09:03 GMT 2023
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FDA UNII
E3A7MQB6LC
Created by admin on Fri Dec 15 17:09:03 GMT 2023 , Edited by admin on Fri Dec 15 17:09:03 GMT 2023
PRIMARY
PUBCHEM
74946
Created by admin on Fri Dec 15 17:09:03 GMT 2023 , Edited by admin on Fri Dec 15 17:09:03 GMT 2023
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EPA CompTox
DTXSID00174715
Created by admin on Fri Dec 15 17:09:03 GMT 2023 , Edited by admin on Fri Dec 15 17:09:03 GMT 2023
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