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Substance Name: 4-Aminopentanoylphenone
RN: 38237-74-0
InChIKey: ODSCUBSJIFLFPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H15-N-O

Molecular Weight

  • 177.245
 
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Names and Synonyms

Name of Substance

  • 4-Aminopentanoylphenone

Synonyms

  • 1-Pentanone, 1-(4-aminophenyl)-
  • 4-14-00-00178 (Beilstein Handbook Reference)
  • BRN 2803365
  • p-Amino valerophenone
  • Valerophenone, 4'-amino-

Systematic Names

  • 1-Pentanone, 1-(4-aminophenyl)-
  • Valerophenone, p-amino-

Registry Numbers

CAS Registry Number

  • 38237-74-0

System Generated Number

  • 0038237740

Structure Descriptors

InChI

1S/C11H15NO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3

InChIKey

ODSCUBSJIFLFPF-UHFFFAOYSA-N

Smiles

C(CCCC)(=O)c1ccc(cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 120mg/kg (120mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 348, 1947.
mouse LD50 oral 94mg/kg (94mg/kg)   General Pharmacology. Vol. 14, Pg. 465, 1983.
rat LD50 oral 84mg/kg (84mg/kg)   General Pharmacology. Vol. 14, Pg. 465, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74.5 deg C   EXP
log P (octanol-water) 2.230 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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