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Substance Name: Cinnamamide, 4-chloro-alpha,beta-dimethyl-N-(2-propynyl)-, (E)-
RN: 60548-39-2
InChIKey: BNDUZVKWQCXJFV-ZHACJKMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-Cl-N-O

Molecular Weight

  • 247.724
 
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Names and Synonyms

Synonyms

  • 2-Butenamide, 3-(4-chlorophenyl)-2-methyl-N-2-propynyl-, (E)-
  • BRN 2273837
  • trans-4-Chloro-alpha,beta-dimethyl-N-(2-propynyl)cinnamamide

Systematic Name

  • Cinnamamide, 4-chloro-alpha,beta-dimethyl-N-(2-propynyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 60548-39-2

System Generated Number

  • 0060548392

Structure Descriptors

InChI

1S/C14H14ClNO/c1-4-9-16-14(17)11(3)10(2)12-5-7-13(15)8-6-12/h1,5-8H,9H2,2-3H3,(H,16,17)/b11-10+

InChIKey

BNDUZVKWQCXJFV-ZHACJKMWSA-N

Smiles

c1(\C(=C(\C(NCC#C)=O)C)C)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 48, 1977.