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Substance Name: 3-Methylquinoline
RN: 612-58-8
UNII: 1YC9RBW2G0
InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H9-N

Molecular Weight

  • 143.188
 
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Names and Synonyms

Name of Substance

  • 3-Methylquinoline

Synonyms

  • 3-Methylquinoline
  • 5-20-07-00388 (Beilstein Handbook Reference)
  • BRN 0110325
  • CCRIS 2896
  • EINECS 210-315-7
  • NSC 109149
  • UNII-1YC9RBW2G0

Systematic Names

  • 3-Methylquinoline
  • Quinoline, 3-methyl-

Registry Numbers

CAS Registry Number

  • 612-58-8

FDA UNII

  • 1YC9RBW2G0

System Generated Number

  • 0000612588

Structure Descriptors

InChI

1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

InChIKey

DTBDAFLSBDGPEA-UHFFFAOYSA-N

Smiles

c12c(ncc(c1)C)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 16.5 deg C   EXP
Boiling Point 259.8 deg C   EXP
pKa Dissociation Constant 5.17 (none) 20 EXP
log P (octanol-water) 2.53 (none)   EXP
Water Solubility 561 mg/L 25 EST
Vapor Pressure 9.52E-03 mm Hg 25 EST
Henry's Law Constant 7.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.77E-11 cm3/molecule-sec 25 EST

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