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Substance Name: 1-Propyl-2-methyl-3-hydroxypyrid-4-one
RN: 30652-13-2
InChIKey: BFUSTCYJXIZANF-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N-O2

Molecular Weight

  • 167.2067
 
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Names and Synonyms

Name of Substance

  • 1-Propyl-2-methyl-3-hydroxypyrid-4-one

Synonyms

  • 3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridinone
  • 5-21-12-00114 (Beilstein Handbook Reference)
  • BRN 1452381
  • CP22

Systematic Name

  • 4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-propyl-

Registry Numbers

CAS Registry Number

  • 30652-13-2

System Generated Number

  • 0030652132

Structure Descriptors

InChI

1S/C9H13NO2/c1-3-5-10-6-4-8(11)9(12)7(10)2/h4,6,12H,3,5H2,1-2H3

InChIKey

BFUSTCYJXIZANF-UHFFFAOYSA-N

Smiles

CCCN1C=CC(=O)C(=C1C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 404mg/kg (404mg/kg)   Blood. Vol. 76, Pg. 2389, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.18 (none)   EXP
Water Solubility 4.45E+04 mg/L 25 EST
Vapor Pressure 1.50E-05 mm Hg 25 EST
Henry's Law Constant 3.39E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.08E-10 cm3/molecule-sec 25 EST

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