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Details

Stereochemistry ACHIRAL
Molecular Formula C17H23ClN4.2ClH
Molecular Weight 391.766
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-CHLOROETHYL)-N'-METHYL-N,N'-BIS(4-AMINOPHENYL)ETHYLENEDIAMINE DIHYDROCHLORIDE

SMILES

Cl.Cl.CN(CCN(CCCl)C1=CC=C(N)C=C1)C2=CC=C(N)C=C2

InChI

InChIKey=MYJYGWKDHUKWMC-UHFFFAOYSA-N
InChI=1S/C17H23ClN4.2ClH/c1-21(16-6-2-14(19)3-7-16)12-13-22(11-10-18)17-8-4-15(20)5-9-17;;/h2-9H,10-13,19-20H2,1H3;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H23ClN4
Molecular Weight 318.844
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 Sat Dec 16 07:44:00 GMT 2023
Edited
by admin
on Sat Dec 16 07:44:00 GMT 2023
Record UNII
I8FL9GD5ZW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-CHLOROETHYL)-N'-METHYL-N,N'-BIS(4-AMINOPHENYL)ETHYLENEDIAMINE DIHYDROCHLORIDE
Systematic Name English
1,4-BENZENEDIAMINE, N-(2-((4-AMINOPHENYL)(2-CHLOROETHYL)AMINO)ETHYL)-N-METHYL-, DIHYDROCHLORIDE
Systematic Name English
NSC-134445
Code English
Code System Code Type Description
PUBCHEM
131842324
Created by admin on Sat Dec 16 07:44:00 GMT 2023 , Edited by admin on Sat Dec 16 07:44:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID20953781
Created by admin on Sat Dec 16 07:44:00 GMT 2023 , Edited by admin on Sat Dec 16 07:44:00 GMT 2023
PRIMARY
NSC
134445
Created by admin on Sat Dec 16 07:44:00 GMT 2023 , Edited by admin on Sat Dec 16 07:44:00 GMT 2023
PRIMARY
CAS
31873-96-8
Created by admin on Sat Dec 16 07:44:00 GMT 2023 , Edited by admin on Sat Dec 16 07:44:00 GMT 2023
PRIMARY
FDA UNII
I8FL9GD5ZW
Created by admin on Sat Dec 16 07:44:00 GMT 2023 , Edited by admin on Sat Dec 16 07:44:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE