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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16Cl2N2.ClH
Molecular Weight 283.625
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N<sup>1</sup>,N<sup>1</sup>-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine hydrochloride

SMILES

Cl.CC1=CC(=CC=C1N)N(CCCl)CCCl

InChI

InChIKey=HJEYPSNYNSCIEY-UHFFFAOYSA-N
InChI=1S/C11H16Cl2N2.ClH/c1-9-8-10(2-3-11(9)14)15(6-4-12)7-5-13;/h2-3,8H,4-7,14H2,1H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
N<sup>1</sup>,N<sup>1</sup>-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine hydrochloride
Systematic Name English
Toluene-2,5-diamine, N5,N5-bis(2-chloroethyl)-, hydrochloride
Preferred Name English
1,4-Benzenediamine, N4,N4-bis(2-chloroethyl)-2-methyl-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
22096950
Created by admin on Wed Apr 02 17:45:07 GMT 2025 , Edited by admin on Wed Apr 02 17:45:07 GMT 2025
PRIMARY
CAS
857002-72-3
Created by admin on Wed Apr 02 17:45:07 GMT 2025 , Edited by admin on Wed Apr 02 17:45:07 GMT 2025
PRIMARY
FDA UNII
5S8X3EKN9Z
Created by admin on Wed Apr 02 17:45:07 GMT 2025 , Edited by admin on Wed Apr 02 17:45:07 GMT 2025
PRIMARY
NIH
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