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Substance Name: Isobutyranilide
RN: 4406-41-1
InChIKey: WDRCPKDLZOQCFU-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N-O

Molecular Weight

  • 163.219
 
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Names and Synonyms

Synonyms

  • 2-Methyl-N-phenylpropanimide
  • 4-12-00-00389 (Beilstein Handbook Reference)
  • AI3-22986
  • BRN 2083864
  • CCRIS 5672
  • i-Butyranilide
  • Isobutyranilide
  • Isobutyric acid anilide
  • NSC 7113

Systematic Names

  • 2-Methyl-N-phenylpropanamide
  • Isobutyranilide
  • Propanamide, 2-methyl-N-phenyl- (9CI)

Registry Numbers

CAS Registry Number

  • 4406-41-1

System Generated Number

  • 0004406411

Structure Descriptors

InChI

1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

InChIKey

WDRCPKDLZOQCFU-UHFFFAOYSA-N

Smiles

c1(NC(C(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1130mg/kg (1130mg/kg)   Toxicology and Applied Pharmacology. Vol. 19, Pg. 20, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 1430 mg/L 25 EST
Vapor Pressure 1.43E-04 mm Hg 25 EST
Henry's Law Constant 1.09E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-11 cm3/molecule-sec 25 EST

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