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Substance Name: 1H-Imidazole-1-ethanol, 2-methyl-alpha-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-5-nitro-
RN: 74550-92-8
InChIKey: KAOLQMBIYJYWNM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C11-H14-N6-O5

Molecular Weight

  • 310.269
 
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Names and Synonyms

Synonyms

  • 2-Methyl-alpha-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-5-nitro-1H-imidazole-1-ethanol
  • DA 3853

Systematic Name

  • 1H-Imidazole-1-ethanol, 2-methyl-alpha-((2-methyl-5-nitro-1H-imidazol-1-yl)methyl)-5-nitro-

Registry Numbers

CAS Registry Number

  • 74550-92-8

System Generated Number

  • 0074550928

Structure Descriptors

InChI

1S/C11H14N6O5/c1-7-12-3-10(16(19)20)14(7)5-9(18)6-15-8(2)13-4-11(15)17(21)22/h3-4,9,18H,5-6H2,1-2H3

InChIKey

KAOLQMBIYJYWNM-UHFFFAOYSA-N

Smiles

c1([N+]([O-])=O)cnc(C)n1CC(O)Cn1c([N+](=O)[O-])cnc1C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.31 (none)   EXP
Water Solubility 116 mg/L 25 EST
Vapor Pressure 1.17E-12 mm Hg 25 EST
Henry's Law Constant 1.06E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.07E-11 cm3/molecule-sec 25 EST

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