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Substance Name: 1H-Imidazole-1-ethanol, 5-methyl-2-nitro- (9CI)
RN: 23571-38-2
InChIKey: FIIUIEQMEKWLPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-N3-O3

Molecular Weight

  • 171.1551
 
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Names and Synonyms

Synonyms

  • 5-23-05-00098 (Beilstein Handbook Reference)
  • 5-Methyl-2-nitroimidazole-1-ethanol
  • BRN 0611681
  • L 6678

Systematic Names

  • 1H-Imidazole-1-ethanol, 5-methyl-2-nitro- (9CI)
  • Imidazole-1-ethanol, 5-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 23571-38-2

System Generated Number

  • 0023571382

Structure Descriptors

InChI

1S/C6H9N3O3/c1-5-4-7-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3

InChIKey

FIIUIEQMEKWLPT-UHFFFAOYSA-N

Smiles

Cc1cnc([N+](=O)[O-])n1CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 705mg/kg (705mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 775, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.18 (none)   EXP
Water Solubility 1.74E+04 mg/L 25 EST
Vapor Pressure 3.05E-07 mm Hg 25 EST
Henry's Law Constant 1.69E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-11 cm3/molecule-sec 25 EST

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