Cas no 497855-95-5 (1-(1-PROPYL-1H-IMIDAZOL-2-YL)-ETHANONE)

1-(1-PROPYL-1H-IMIDAZOL-2-YL)-ETHANONE structure
497855-95-5 structure
Product Name:1-(1-PROPYL-1H-IMIDAZOL-2-YL)-ETHANONE
CAS No:497855-95-5
MF:C8H12N2O
MW:152.193681716919
CID:932817
PubChem ID:53421980
Update Time:2025-04-19

1-(1-PROPYL-1H-IMIDAZOL-2-YL)-ETHANONE Chemical and Physical Properties

Names and Identifiers

    • 1-(1-PROPYL-1H-IMIDAZOL-2-YL)-ETHANONE
    • 1-(1-propylimidazol-2-yl)ethanone
    • 2-(1-hydroxyethyl)-1-propylimidazole
    • CTK8I8795
    • KB-146293
    • AKOS013292711
    • DTXSID10697920
    • 497855-95-5
    • DB-258612
    • 1-(1-Propyl-1H-imidazol-2-yl)ethan-1-one
    • Inchi: 1S/C8H12N2O/c1-3-5-10-6-4-9-8(10)7(2)11/h4,6H,3,5H2,1-2H3
    • InChI Key: NNDJCALZBQRNKG-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=NC=CN1CCC

Computed Properties

  • Exact Mass: 152.09500
  • Monoisotopic Mass: 152.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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
  • Topological Polar Surface Area: 34.9A^2
  • XLogP3: 0.9

Experimental Properties

  • PSA: 34.89000
  • LogP: 1.49570
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