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Substance Name: Piperazine, 1-(6-methyl-1,1'-biphenyl-3-yl)-4-methyl-, oxalate, hemihydrate
RN: 13480-28-9
InChIKey: ABXFXURBVCQUAP-UHFFFAOYSA-N

Molecular Formula

  • C18-H22-N2.C2-H2-O4.1/2H2-O

Molecular Weight

  • 356.42
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-(3-phenyl-4-methylphenyl)piperazine oxalate hemihydrate

Systematic Name

  • Piperazine, 1-(6-methyl-1,1'-biphenyl-3-yl)-4-methyl-, oxalate, hemihydrate

Registry Numbers

CAS Registry Number

  • 13480-28-9

System Generated Number

  • 0013480289

Molecular Formulas

Molecular Formula

  • C18-H22-N2.C2-H2-O4.1/2H2-O

Molecular Formula Fragments

  • C18-H22-N2
  • C2-H2-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H22N2.C2H2O4/c1-15-8-9-17(20-12-10-19(2)11-13-20)14-18(15)16-6-4-3-5-7-16;3-1(4)2(5)6/h3-9,14H,10-13H2,1-2H3;(H,3,4)(H,5,6)

InChIKey

ABXFXURBVCQUAP-UHFFFAOYSA-N

Smiles

N1(C)CCN(c2ccc(c(c3ccccc3)c2)C)CC1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 89mg/kg (89mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12603,