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Substance Name: Quinoline, 5-methyl-4-nitro-, 1-oxide
RN: 14094-43-0
InChIKey: WPQVMRHYELDDMA-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C10-H8-N2-O3

Molecular Weight

  • 204.184
 
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Names and Synonyms

Synonyms

  • 5-Methyl-4-nitroquinoline 1-oxide
  • BRN 1247060
  • CCRIS 1146

Systematic Names

  • 5-Methyl-4-nitroquinoline 1-oxide
  • Quinoline, 5-methyl-4-nitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 14094-43-0

System Generated Number

  • 0014094430

Structure Descriptors

InChI

1S/C10H8N2O3/c1-7-3-2-4-8-10(7)9(12(14)15)5-6-11(8)13/h2-6H,1H3

InChIKey

WPQVMRHYELDDMA-UHFFFAOYSA-N

Smiles

c1cc(C)c2c([N+]([O-])=O)cc[n+]([O-])c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.36 (none)   EXP
Water Solubility 744 mg/L 25 EST
Vapor Pressure 1.06E-06 mm Hg 25 EST
Henry's Law Constant 3.00E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.83E-12 cm3/molecule-sec 25 EST

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