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Substance Name: 2-Acetylpyridine
RN: 1122-62-9
UNII: 629O10UI3L
InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C7-H7-N-O

Molecular Weight

  • 121.138
 
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Names and Synonyms

Name of Substance

  • 2-Acetylpyridine

Synonyms

  • 1-(2-Pyridinyl)ethanone
  • 2-Acetopyridine
  • 2-Acetylpyridine
  • 2-Acetylpyridine (natural)
  • 2-Pyridyl methyl ketone
  • AI3-52210
  • CCRIS 7784
  • EINECS 214-355-6
  • Ethanone, 1-(2-pyridinyl)-
  • FEMA 3251
  • FEMA No. 3251
  • Ketone, methyl 2-pyridyl
  • Methyl 2-pyridyl ketone
  • NSC 15043
  • UNII-629O10UI3L

Systematic Names

  • 2-Acetylpyridine
  • Ethanone, 1-(2-pyridinyl)-
  • Ketone, methyl 2-pyridyl
  • Methyl 2-pyridyl ketone

Superlist Name

  • Methyl 2-pyridyl ketone

Registry Numbers

CAS Registry Number

  • 1122-62-9

FDA UNII

  • 629O10UI3L

System Generated Number

  • 0001122629

Structure Descriptors

InChI

1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3

InChIKey

AJKVQEKCUACUMD-UHFFFAOYSA-N

Smiles

c1(ccccn1)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 1gm/kg (1000mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 oral 2280mg/kg (2280mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 192 deg C   EXP
pKa Dissociation Constant 2.73 (none) 17 EXP
log P (octanol-water) 0.85 (none)   EXP
Water Solubility 1.87E+04 mg/L 25 EST
Vapor Pressure 0.374 mm Hg 25 EST
Henry's Law Constant 1.28E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.39E-13 cm3/molecule-sec 25 EST

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