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Substance Name: 3-Methyl-4-nitroquinoline-N-oxide
RN: 14073-00-8
UNII: 2OPR3UT96B
InChIKey: DSDCYTGYMIYMDL-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C10-H8-N2-O3

Molecular Weight

  • 204.1842
 
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Names and Synonyms

Name of Substance

  • 3-Methyl-4-nitroquinoline 1-oxide
  • 3-Methyl-4-nitroquinoline-N-oxide

Synonyms

  • 3-Methyl-4-nitroquinoline 1-oxide
  • 3-Methyl-4-nitroquinoline-1-oxide
  • BRN 1286908
  • CCRIS 1145
  • HSDB 4327
  • Quinoline, 3-methyl-4-nitro-, 1-oxide
  • UNII-2OPR3UT96B

Systematic Names

  • 3-Methyl-4-nitroquinoline 1-oxide
  • Quinoline, 3-methyl-4-nitro-, 1-oxide

Registry Numbers

CAS Registry Number

  • 14073-00-8

FDA UNII

  • 2OPR3UT96B

System Generated Number

  • 0014073008

Structure Descriptors

InChI

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

InChIKey

DSDCYTGYMIYMDL-UHFFFAOYSA-N

Smiles

c12c(c(cn(=O)c1cccc2)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 318mg/kg (318mg/kg)   Progress in Mutation Research. Vol. 1, Pg. 682, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.06 (none)   EXP
Water Solubility 2110 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.