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Substance Name: Methyl pyridyl ketone
RN: 350-03-8
UNII: 00QT8FX306
InChIKey: WEGYGNROSJDEIW-UHFFFAOYSA-N

Note

  • Inhibits tremors.

Molecular Formula

  • C7-H7-N-O

Molecular Weight

  • 121.138
 

Classification Codes

  • Enzyme Inhibitors
  • Mutation Data
  • Neurotoxins
  • Noxae
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Names and Synonyms

Name of Substance

  • 3-Acetylpyridine
  • Methyl pyridyl ketone

Synonyms

  • 1-(3-Pyridenyl)ethanone
  • 1-(3-Pyridinyl)ethanone
  • 3-Acetopyridine
  • 3-Acetylpyridine
  • 3-Pyridyl methyl ketone
  • 5-21-07-00394 (Beilstein Handbook Reference)
  • AI3-50031
  • beta-Acetylpyridine
  • BRN 0107751
  • EINECS 206-496-7
  • Ethanone, 1-(3-pyridinyl)-
  • FEMA No. 3424
  • Ketone, methyl 3-pyridyl
  • Methyl 3-pyridyl ketone
  • Methyl pyridyl ketone
  • NSC 761
  • Pyridine, 3-acetyl-
  • UNII-00QT8FX306

Systematic Names

  • Ethanone, 1-(3-pyridinyl)-
  • Ketone, methyl 3-pyridyl
  • Methyl 3-pyridyl ketone

Superlist Name

  • Methyl 3-pyridyl ketone

Registry Numbers

CAS Registry Number

  • 350-03-8

FDA UNII

  • 00QT8FX306

System Generated Number

  • 0000350038

Structure Descriptors

InChI

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

InChIKey

WEGYGNROSJDEIW-UHFFFAOYSA-N

Smiles

c1(cccnc1)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 178mg/kg (178mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 528, 1975.
quail LD50 oral 422mg/kg (422mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 oral 46uL/kg (0.046mL/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

MUSCULOSKELETAL: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 681, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 13.5 deg C   EXP
Boiling Point 220 deg C   EXP
pKa Dissociation Constant 3.18 (none) 25 EXP
log P (octanol-water) 0.43 (none)   EXP
Water Solubility 4.27E+04 mg/L 25 EST
Vapor Pressure 0.374 mm Hg 25 EST
Henry's Law Constant 2.13E-08 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.39E-13 cm3/molecule-sec 25 EST

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