U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N4O4.2ClH
Molecular Weight 401.245
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-Bis(4-nitrophenyl)piperazine hydrochloride

SMILES

Cl.Cl.[O-][N+](=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=KOOXMOQTZZAQHH-UHFFFAOYSA-N
InChI=1S/C16H16N4O4.2ClH/c21-19(22)15-5-1-13(2-6-15)17-9-11-18(12-10-17)14-3-7-16(8-4-14)20(23)24;;/h1-8H,9-12H2;2*1H

HIDE SMILES / InChI

Molecular Formula C16H16N4O4
Molecular Weight 328.3226
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:12:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:58 GMT 2023
Record UNII
D224E2TFV4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-Bis(4-nitrophenyl)piperazine hydrochloride
Common Name English
Piperazine, 1,4-bis(4-nitrophenyl)-, hydrochloride (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
D224E2TFV4
Created by admin on Sat Dec 16 19:12:59 GMT 2023 , Edited by admin on Sat Dec 16 19:12:59 GMT 2023
PRIMARY
CAS
1000589-92-3
Created by admin on Sat Dec 16 19:12:59 GMT 2023 , Edited by admin on Sat Dec 16 19:12:59 GMT 2023
PRIMARY
PUBCHEM
166177220
Created by admin on Sat Dec 16 19:12:59 GMT 2023 , Edited by admin on Sat Dec 16 19:12:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE