U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12Cl2N2.2ClH
Molecular Weight 304.044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,4-dichlorophenyl)piperazine hydrochloride

SMILES

Cl.Cl.ClC1=CC=C(C=C1Cl)N2CCNCC2

InChI

InChIKey=VADUZJRSQFZLPH-UHFFFAOYSA-N
InChI=1S/C10H12Cl2N2.2ClH/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H12Cl2N2
Molecular Weight 231.122
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
KS7JLX53TL
Record Status Validated (UNII)
Record Version