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Substance Name: Ketone, (p-methoxyphenyl) 4-pyridyl
RN: 14548-47-1
InChIKey: FGEUIMWNIGSQPB-UHFFFAOYSA-N

Molecular Formula

  • C13-H11-N-O2

Molecular Weight

  • 213.235
 
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Names and Synonyms

Synonyms

  • 4-(4-Methoxybenzoyl)pyridine
  • 5-21-12-00524 (Beilstein Handbook Reference)
  • BRN 0392709
  • Ketone, p-anisyl 4-pyridyl
  • p-Anisyl 4-pyridyl ketone
  • p-Methoxyphenyl 4-pyridyl ketone
  • Pyridine, 4-(4-methoxybenzoyl)-

Systematic Name

  • Ketone, (p-methoxyphenyl) 4-pyridyl

Registry Numbers

CAS Registry Number

  • 14548-47-1

System Generated Number

  • 0014548471

Structure Descriptors

InChI

1S/C13H11NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-9H,1H3

InChIKey

FGEUIMWNIGSQPB-UHFFFAOYSA-N

Smiles

c1(C(c2ccncc2)=O)ccc(OC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 551, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.94 (none)   EXP
Water Solubility 824 mg/L 25 EST
Vapor Pressure 5.48E-05 mm Hg 25 EST
Henry's Law Constant 1.50E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.08E-11 cm3/molecule-sec 25 EST

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