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Substance Name: 4-Methylpyridine N-oxide
RN: 1003-67-4
UNII: QIY3009LEH
InChIKey: IWYYIZOHWPCALJ-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-N-O

Molecular Weight

  • 109.127
 
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Names and Synonyms

Name of Substance

  • 4-Methylpyridine N-oxide

Synonyms

  • 4-Methylpyridine 1-oxide
  • 4-Methylpyridine N-oxide
  • 4-Picoline 1-oxide
  • 4-Picoline N-oxide
  • AI3-60067
  • EINECS 213-712-3
  • gamma-Picoline 1-oxide
  • gamma-Picoline N-oxide
  • NSC 5086
  • UNII-QIY3009LEH

Systematic Names

  • 4-Methylpyridine 1-oxide
  • 4-Picoline, 1-oxide (8CI)
  • Pyridine, 4-methyl-, 1-oxide

Registry Numbers

CAS Registry Number

  • 1003-67-4

FDA UNII

  • QIY3009LEH

Other Registry Numbers

  • 1084930-90-4
  • 117889-41-5
  • 1197996-56-7
  • 344242-54-2

System Generated Number

  • 0001003674

Structure Descriptors

InChI

1S/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChIKey

IWYYIZOHWPCALJ-UHFFFAOYSA-N

Smiles

c1(cc[n+]([O-])cc1)C

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.
mouse LD50 intraperitoneal 1242mg/kg (1242mg/kg)   Toxicon. Vol. 23, Pg. 815, 1985.
quail LD50 oral 750mg/kg (750mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 38-40 deg C   EXP
pKa Dissociation Constant 1.29 (none) 24 EXP
log P (octanol-water) -0.790 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.053 mm Hg 25 EST
Henry's Law Constant 7.78E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-12 cm3/molecule-sec 25 EST

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