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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N2.2ClH
Molecular Weight 249.18
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-Methylphenyl)piperazine dihydrochloride

SMILES

Cl.Cl.CC1=CC=CC(=C1)N2CCNCC2

InChI

InChIKey=QJNWTYUDISMTMR-UHFFFAOYSA-N
InChI=1S/C11H16N2.2ClH/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13;;/h2-4,9,12H,5-8H2,1H3;2*1H

HIDE SMILES / InChI
Molecular Formula C11H16N2
Molecular Weight 176.2581
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

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:30:47 GMT 2023
Edited
by admin
on Sat Dec 16 12:30:47 GMT 2023
Record UNII
N4ER3EG3YU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-Methylphenyl)piperazine dihydrochloride
Systematic Name English
1-(3-Tolyl)piperazine dihydrochloride
Systematic Name English
NSC-71662
Code English
1-(m-Tolyl)piperazine dihydrochloride
Systematic Name English
Piperazine, 1-(3-methylphenyl)-, dihydrochloride
Systematic Name English
1-m-Tolylpiperazine dihydrochloride
Systematic Name English
4-(3-Methylphenyl)piperazine dihydrochloride
Systematic Name English
Piperazine, 1-(3-methylphenyl)-, hydrochloride (1:2)
Systematic Name English
Code System Code Type Description
PUBCHEM
83110
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID80156736
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
ECHA (EC/EINECS)
235-974-8
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
FDA UNII
N4ER3EG3YU
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
NSC
71662
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
CAS
13078-13-2
Created by admin on Sat Dec 16 12:30:47 GMT 2023 , Edited by admin on Sat Dec 16 12:30:47 GMT 2023
PRIMARY
Related Record Type Details
Structure of 1-(3-Methylphenyl)piperazine
PARENT -> SALT/SOLVATE
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