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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, methyl ester, ethanedioate (1:2)
RN: 57611-58-2
InChIKey: ONLAEDZVCNCMDS-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C14-H20-N2-O2.2C2-H2-O4

Molecular Weight

  • 338.3578
 
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Names and Synonyms

Synonym

  • Methyl 4-amino-1-(phenylmethyl)-4-piperidinecarboxylate ethanedioate (1:2)

Systematic Name

  • 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, methyl ester, ethanedioate (1:2)

Registry Numbers

CAS Registry Number

  • 57611-58-2

System Generated Number

  • 0057611582

Molecular Formulas

Molecular Formula

  • C14-H20-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C14-H20-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H20N2O2.C2H2O4/c1-18-13(17)14(15)7-9-16(10-8-14)11-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6H,7-11,15H2,1H3;(H,3,4)(H,5,6)

InChIKey

ONLAEDZVCNCMDS-UHFFFAOYSA-N

Smiles

COC(=O)C1(CCN(CC1)Cc2ccccc2)N.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 424, 1974.