Cas no 182306-64-5 (Ethanone,1-(5-propyl-2-pyrazinyl)-)

Ethanone,1-(5-propyl-2-pyrazinyl)- structure
182306-64-5 structure
Product Name:Ethanone,1-(5-propyl-2-pyrazinyl)-
CAS No:182306-64-5
MF:C9H12N2O
MW:164.204381942749
CID:113830
PubChem ID:45086306
Update Time:2025-04-18

Ethanone,1-(5-propyl-2-pyrazinyl)- Chemical and Physical Properties

Names and Identifiers

    • Ethanone,1-(5-propyl-2-pyrazinyl)-
    • Ethanone, 1-(5-propylpyrazinyl)- (9CI)
    • 182306-64-5
    • 1-(5-Propylpyrazin-2-yl)ethanone
    • Inchi: 1S/C9H12N2O/c1-3-4-8-5-11-9(6-10-8)7(2)12/h5-6H,3-4H2,1-2H3
    • InChI Key: OVBCDIBDTCYEDW-UHFFFAOYSA-N
    • SMILES: O=C(C)C1=CN=C(C=N1)CCC

Computed Properties

  • Exact Mass: 164.09506
  • Monoisotopic Mass: 164.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 159
  • 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: 42.8A^2
  • XLogP3: 1

Experimental Properties

  • PSA: 42.85
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