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Substance Name: beta-Phenylpropionamide
RN: 102-93-2
InChIKey: VYIBCOSBNVFEIW-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-N-O

Molecular Weight

  • 149.192
 
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Names and Synonyms

Name of Substance

  • beta-Phenylpropionamide

Synonyms

  • 3-Phenylpropanamide
  • 3-Phenylpropionamide
  • 4-09-00-01763 (Beilstein Handbook Reference)
  • AI3-38846
  • Amide hydrocinnamique
  • Amide hydrocinnamique [French]
  • beta-Phenylpropionamide
  • BRN 1937271
  • NSC 229316

Systematic Names

  • Benzenepropanamide (9CI)
  • Hydrocinnamamide

Registry Numbers

CAS Registry Number

  • 102-93-2

System Generated Number

  • 0000102932

Structure Descriptors

InChI

1S/C9H11NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11)

InChIKey

VYIBCOSBNVFEIW-UHFFFAOYSA-N

Smiles

c1(CCC(N)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo intravenous 90mg/kg (90mg/kg)   Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.91 (none)   EXP
Water Solubility 1.28E+04 mg/L 25 EST
Vapor Pressure 1.32E-04 mm Hg 25 EST
Henry's Law Constant 1.20E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.