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Substance Name: 4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, octyl ester, ethanedioate (1:2)
RN: 57611-74-2
InChIKey: COSQJVNQGWDNFM-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Herbicide

Molecular Formula

  • C21-H34-N2-O2.2C2-H2-O4

Molecular Weight

  • 436.5454
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57611-74-2

System Generated Number

  • 0057611742

Molecular Formulas

Molecular Formula

  • C21-H34-N2-O2.2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H34-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H34N2O2.C2H2O4/c1-2-3-4-5-6-10-17-25-20(24)21(22)13-15-23(16-14-21)18-19-11-8-7-9-12-19;3-1(4)2(5)6/h7-9,11-12H,2-6,10,13-18,22H2,1H3;(H,3,4)(H,5,6)

InChIKey

COSQJVNQGWDNFM-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=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.