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Substance Name: Isonipecotic acid, 4-anilino-1-benzyl-, hydrochloride
RN: 61087-51-2
InChIKey: XPWBXWQFCBZDLL-UHFFFAOYSA-N

Molecular Formula

  • C19-H22-N2-O2.Cl-H

Molecular Weight

  • 346.856
 
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Names and Synonyms

Synonyms

  • 4-Anilino-1-benzylisonipecotic acid hydrochloride
  • 4-Piperidinecarboxylic acid, 1-benzyl-4-anilino-, hydrochloride
  • EINECS 262-599-7

Systematic Names

  • 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride
  • Isonipecotic acid, 4-anilino-1-benzyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 61087-51-2

System Generated Number

  • 0061087512

Molecular Formulas

Molecular Formula

  • C19-H22-N2-O2.Cl-H

Molecular Formula Fragments

  • C19-H22-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H

InChIKey

XPWBXWQFCBZDLL-UHFFFAOYSA-N

Smiles

C1([NH+]c2ccccc2)(CCN(Cc2ccccc2)CC1)C(O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02160,