Cas no 39893-64-6 (α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol)

α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol structure
39893-64-6 structure
Product Name:α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol
CAS No:39893-64-6
MF:C7H11N3O3
MW:185.180541276932
CID:318803
PubChem ID:11970493
Update Time:2025-04-19

α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol Chemical and Physical Properties

Names and Identifiers

    • α,2-dimethyl-4-nitro-1H-Imidazole-1-ethanol
    • 1-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
    • 1-(2-methyl-4-nitro-1H-imidazol-1-yl)propan-2-ol
    • alpha,2-Dimethyl-4-nitro-1H-imidazole-1-ethanol
    • NS00057797
    • DTXSID20960435
    • 39893-64-6
    • EINECS 254-680-0
    • Inchi: 1S/C7H11N3O3/c1-5(11)3-9-4-7(10(12)13)8-6(9)2/h4-5,11H,3H2,1-2H3
    • InChI Key: JRXLILGOSVVPCW-UHFFFAOYSA-N
    • SMILES: OC(C)CN1C=C([N+](=O)[O-])N=C1C

Computed Properties

  • Exact Mass: 185.08004122g/mol
  • Monoisotopic Mass: 185.08004122g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 83.9?2
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