Cas no 602306-51-4 (1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE)

1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE structure
602306-51-4 structure
Product Name:1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE
CAS No:602306-51-4
MF:C7H10N2O
MW:138.167101383209
CID:951454
PubChem ID:45085502
Update Time:2025-04-19

1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE Chemical and Physical Properties

Names and Identifiers

    • 1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE
    • 5-acetyl-1-ethylimidazole
    • CTK8J5426
    • KB-146981
    • SureCN5098894
    • SCHEMBL5098894
    • DB-258760
    • 1-(1-Ethyl-1H-imidazol-5-yl)ethan-1-one
    • 1-(3-ETHYLIMIDAZOL-4-YL)ETHANONE
    • DTXSID10665826
    • EN300-1999374
    • AKOS006227895
    • 602306-51-4
    • 1-(1-ethyl-1H-imidazol-5-yl)ethanone
    • Inchi: 1S/C7H10N2O/c1-3-9-5-8-4-7(9)6(2)10/h4-5H,3H2,1-2H3
    • InChI Key: XGWKQVJEEPQMLB-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CN=CN1CC

Computed Properties

  • Exact Mass: 138.0794
  • Monoisotopic Mass: 138.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • PSA: 34.89

1-(3-ETHYL-3H-IMIDAZOL-4-YL)-ETHANONE Pricemore >>

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