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Substance Name: 3-Piperidinecarboxylic acid, 4-oxo-1-phenethyl-, hydrochloride
RN: 1033-93-8
InChIKey: LMTQWMZJZQCHRG-UHFFFAOYSA-N

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Weight

  • 311.807
 
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Names and Synonyms

Synonyms

  • 3-Carbethoxy-1-(beta-phenethyl)-4-piperidone hydrochloride
  • EINECS 213-850-4
  • NSC 49903

Systematic Names

  • 3-Piperidinecarboxylic acid, 4-oxo-1-phenethyl-, hydrochloride
  • Ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate hydrochloride

Registry Numbers

CAS Registry Number

  • 1033-93-8

System Generated Number

  • 0001033938

Molecular Formulas

Molecular Formula

  • C16-H21-N-O3.Cl-H

Molecular Formula Fragments

  • C16-H21-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21NO3.ClH/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3;1H

InChIKey

LMTQWMZJZQCHRG-UHFFFAOYSA-N

Smiles

C([C@@H]1C(CC[N@@](C1)CCc1ccccc1)=O)(=O)OCC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00384,