Cas no 54300-09-3 (1-(3,6-Dimethylpyrazin-2-yl)ethanone)

1-(3,6-Dimethylpyrazin-2-yl)ethanone is a pyrazine derivative characterized by its distinct aromatic and heterocyclic structure. This compound is primarily utilized in pharmaceutical and flavor/fragrance industries due to its role as a key intermediate in synthesizing bioactive molecules and aroma compounds. Its structural features, including the acetyl group and dimethyl substitution on the pyrazine ring, contribute to its reactivity and versatility in organic synthesis. The compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined chemical properties make it suitable for applications requiring precise molecular modifications, particularly in the development of specialty chemicals and fine pharmaceuticals.
1-(3,6-Dimethylpyrazin-2-yl)ethanone structure
54300-09-3 structure
Product Name:1-(3,6-Dimethylpyrazin-2-yl)ethanone
CAS No:54300-09-3
MF:C8H10N2O
MW:150.177801609039
MDL:MFCD00055033
CID:376432
PubChem ID:104722
Update Time:2025-06-09

1-(3,6-Dimethylpyrazin-2-yl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-(3,6-Dimethylpyrazin-2-yl)ethanone
    • 1-(3,6-dimethylpyrazinyl)ethan-1-one
    • 1-(3,6-DMETHYLPYRAZIN-2-YL)ETHANONE
    • Ethanone,1-(3,6-dimethyl-2-pyrazinyl)-
    • 2-Acetyl-3,6-dimethylpyrazine
    • NS00056983
    • 1-(3,6-Dimethyl-2-pyrazinyl)-Ethanone
    • Ethanone, 1-(3,6-dimethylpyrazinyl)-
    • 1C9JLA6I6U
    • D82518
    • 54300-09-3
    • Pyrazine, 2-acetyl-3,6-dimethyl
    • CS-0152834
    • 2-Acetyl-3,6-dimethylpyrazin
    • AB02268
    • EINECS 259-077-6
    • 1-(3,6-DIMETHYLPYRAZIN-2-YL)ETHAN-1-ONE
    • AKOS016007908
    • BS-17229
    • SCHEMBL3504558
    • 1-(3,6-Dimethylpyrazinyl)ethanone, 9CI
    • Ethanone, 1-(3,6-dimethyl-2-pyrazinyl)-
    • DTXSID6068939
    • 1-(3,6-Dimethyl-2-pyrazinyl)ethanone
    • EN300-7699756
    • UNII-1C9JLA6I6U
    • 1-(3,6-Dimethylpyrazinyl)-Ethanone
    • Q27252233
    • FEMA NO. 3327, 6-METHYL-
    • CHEBI:169345
    • MFCD00055033
    • JFUVDGXTDCVGHA-UHFFFAOYSA-N
    • DTXCID7041677
    • DB-115775
    • 2-acetyl-3,6-dimethyl pyrazine
    • MDL: MFCD00055033
    • Inchi: 1S/C8H10N2O/c1-5-4-9-6(2)8(10-5)7(3)11/h4H,1-3H3
    • InChI Key: JFUVDGXTDCVGHA-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C(C)=NC=C(C)N=1

Computed Properties

  • Exact Mass: 150.0794
  • Monoisotopic Mass: 150.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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: 0.6
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • PSA: 42.85
  • LogP: 1.080

1-(3,6-Dimethylpyrazin-2-yl)ethanone Pricemore >>

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