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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, hexyl ester, ethanedioate (1:2)
RN: 57611-70-8
InChIKey: KNWIORMONYMBHQ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C19-H30-N2-O2.2C2-H2-O4

Molecular Weight

  • 408.4918
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-70-8

System Generated Number

  • 0057611708

Molecular Formulas

Molecular Formula

  • C19-H30-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C19-H30-N2-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H30N2O2.C2H2O4/c1-2-3-4-8-15-23-18(22)19(20)11-13-21(14-12-19)16-17-9-6-5-7-10-17;3-1(4)2(5)6/h5-7,9-10H,2-4,8,11-16,20H2,1H3;(H,3,4)(H,5,6)

InChIKey

KNWIORMONYMBHQ-UHFFFAOYSA-N

Smiles

CCCCCCOC(=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.