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Substance Name: 2-Methyl-4-nitroquinoline 1-oxide
RN: 4831-62-3
InChIKey: YRPLTHBJMGSMKH-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

Name of Substance

  • 2-Methyl-4-nitroquinoline 1-oxide

Synonyms

  • 2-Methyl-4-nitroquinoline 1-oxide
  • 2-Methyl-4-nitroquinoline N-oxide
  • 2-Methyl-4-nitroquinoline-1-oxide
  • 4-20-00-03467 (Beilstein Handbook Reference)
  • 4-Nitroquinaldine 1-oxide
  • 4-Nitroquinaldine N-oxide
  • 4-Nitroquinaldine-N-oxide
  • BRN 0187040
  • CCRIS 1144
  • NSC 144470
  • NSC 19646
  • Quinoline, 2-methyl-4-nitro, 1-oxide

Systematic Names

  • 2-Methyl-4-nitroquinoline 1-oxide
  • Quinaldine, 4-nitro-, 1-oxide
  • Quinoline, 2-methyl-4-nitro-, 1-oxide (9CI)

Registry Numbers

CAS Registry Number

  • 4831-62-3

System Generated Number

  • 0004831623

Structure Descriptors

InChI

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

InChIKey

YRPLTHBJMGSMKH-UHFFFAOYSA-N

Smiles

c1ccc2c([N+]([O-])=O)cc(C)n(=O)c2c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.25 (none)   EXP
Water Solubility 1450 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.