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Substance Name: 5-Isopropyl-1-methyl-2-nitro-1H-imidazole
RN: 23571-34-8
InChIKey: NOXMCEHYBLYCTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N3-O2

Molecular Weight

  • 169.183
 
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Names and Synonyms

Name of Substance

  • 5-Isopropyl-1-methyl-2-nitro-1H-imidazole

Synonyms

  • 1-Methyl-5-(1-methylethyl)-2-nitro-1H-imidazole
  • 5-23-05-00209 (Beilstein Handbook Reference)
  • 5-Isopropyl-1-methyl-2-nitroimidazole
  • BRN 0514102
  • DL-347
  • L 6347

Systematic Names

  • 1-Methyl-5-(1-methylethyl)-2-nitro-1H-imidazole
  • 1H-Imidazole, 1-methyl-5-(1-methylethyl)-2-nitro- (9CI)
  • Imidazole, 5-isopropyl-1-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 23571-34-8

System Generated Number

  • 0023571348

Structure Descriptors

InChI

1S/C7H11N3O2/c1-5(2)6-4-8-7(9(6)3)10(11)12/h4-5H,1-3H3

InChIKey

NOXMCEHYBLYCTK-UHFFFAOYSA-N

Smiles

Cn1c([N+](=O)[O-])ncc1C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 265mg/kg (265mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 775, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.09 (none)   EXP
Water Solubility 2960 mg/L 25 EST
Vapor Pressure 1.49E-04 mm Hg 25 EST
Henry's Law Constant 6.15E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-11 cm3/molecule-sec 25 EST

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