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Substance Name: Phenylbutyramide
RN: 90-26-6
UNII: J95WO7W7D4
InChIKey: UNFGQCCHVMMMRF-UHFFFAOYSA-N

Molecular Formula

  • C10-H13-N-O

Molecular Weight

  • 163.219
 
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Names and Synonyms

Name of Substance

  • Phenylbutyramide

Synonyms

  • 2-Phenylbutanamide
  • 2-Phenylbutyramide
  • 4-09-00-01818 (Beilstein Handbook Reference)
  • AI3-01390
  • alpha-Phenylbutyramide
  • alpha-Toluamide, alpha-ethyl-
  • BRN 3197469
  • Butyramide, alpha-phenyl-
  • EINECS 201-980-4
  • Eusterol
  • Geriapan
  • Geristerol
  • Hyposterol
  • Lipilisol
  • Nivonorm
  • Normosterolo
  • NSC 1861
  • Phenetamid
  • Phenetamide
  • Phenexan
  • Phenylethylacetamide
  • Redusterol
  • Substerina
  • TH 4128
  • UNII-J95WO7W7D4

Systematic Names

  • 2-Phenylbutyramide
  • Benzeneacetamide, alpha-ethyl- (9CI)
  • Butyramide, 2-phenyl-

Registry Numbers

CAS Registry Number

  • 90-26-6

FDA UNII

  • J95WO7W7D4

System Generated Number

  • 0000090266

Structure Descriptors

InChI

1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)

InChIKey

UNFGQCCHVMMMRF-UHFFFAOYSA-N

Smiles

c1([C@@H](C(N)=O)CC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02424,
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 9, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86 deg C   EXP
log P (octanol-water) 1.450 (none)   EST
Atmospheric OH Rate Constant 1.22E-11 cm3/molecule-sec 25 EST

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