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Substance Name: Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride
RN: 25561-57-3
InChIKey: VDOVETNVNCFYNB-KMZJGFRYSA-N

Molecular Formula

  • C13-H16-N4-O3.Cl-H

Molecular Weight

  • 312.755
 
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Names and Synonyms

Synonyms

  • 2-((4-Methyl-1-piperazinyl)imino)-4'-nitroacetophenone hydrochloride
  • 2-((N'-Methyl-N-piperazino)imino)-4'-nitroacetophenone hydrochloride

Systematic Name

  • Acetophenone, 2-((4-methyl-1-piperazinyl)imino)-4'-nitro-, hydrochloride

Registry Numbers

CAS Registry Number

  • 25561-57-3

System Generated Number

  • 0025561573

Molecular Formulas

Molecular Formula

  • C13-H16-N4-O3.Cl-H

Molecular Formula Fragments

  • C13-H16-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16N4O3.ClH/c1-15-6-8-16(9-7-15)14-10-13(18)11-2-4-12(5-3-11)17(19)20;/h2-5,10H,6-9H2,1H3;1H/b14-10+;

InChIKey

VDOVETNVNCFYNB-KMZJGFRYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)C(\C=N\N1CC[NH+](C)CC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 157, 1970.