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Substance Name: 2-Hydroxy-2-phenylbutyramide
RN: 131802-71-6
InChIKey: KHJLUGZFVDFOKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.2177
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxy-2-phenylbutyramide

Synonyms

  • (+-)-alpha-Ethyl-alpha-hydroxybenzeneacetamide
  • 2-Hydroxy-2-ethyl-2-phenylacetamide
  • 2-Hydroxy-2-phenylbutyramide

Systematic Name

  • Benzeneacetamide, alpha-ethyl-alpha-hydroxy-, (+-)-

Registry Numbers

CAS Registry Number

  • 131802-71-6

System Generated Number

  • 0131802716

Structure Descriptors

InChI

1S/C10H13NO2/c1-2-10(13,9(11)12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3,(H2,11,12)

InChIKey

KHJLUGZFVDFOKZ-UHFFFAOYSA-N

Smiles

CCC(c1ccccc1)(C(=O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 269mg/kg (269mg/kg)   Archives of Medical Research. Vol. 25, Pg. 441, 1994.
mouse LD50 oral 474mg/kg (474mg/kg)   Archives of Medical Research. Vol. 25, Pg. 441, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 5250 mg/L 25 EST
Vapor Pressure 3.59E-07 mm Hg 25 EST
Henry's Law Constant 2.48E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-11 cm3/molecule-sec 25 EST

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