Cas no 101089-46-7 (1-phenyl-4-pyridin-4-ylbutan-1-one)

1-phenyl-4-pyridin-4-ylbutan-1-one structure
101089-46-7 structure
Product Name:1-phenyl-4-pyridin-4-ylbutan-1-one
CAS No:101089-46-7
MF:C15H15NO
MW:225.285703897476
CID:1128401
PubChem ID:265173
Update Time:2025-04-20

1-phenyl-4-pyridin-4-ylbutan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-phenyl-4-pyridin-4-ylbutan-1-one
    • AC1L6DDY
    • ACMC-20m45j
    • MLS002703581
    • CTK0G8449
    • 1-phenyl-4-(piperidin-4-yl)butan-2-one
    • NSC101006
    • 1-Phenyl-4-[4]pyridyl-butan-1-on
    • 1-phenyl-4-[4]pyridyl-butan-1-one
    • 1-Butanone, 1-phenyl-4-(4-pyridinyl)-
    • NCIOpen2_006899
    • SureCN5092579
    • AC1L6DDY; ACMC-20m45j; MLS002703581; CTK0G8449; 1-phenyl-4-(piperidin-4-yl)butan-2-one; NSC101006; 1-Phenyl-4-[4]pyridyl-butan-1-on; 1-phenyl-4-[4]pyridyl-butan-1-one; 1-Butanone, 1-phenyl-4-(4-pyridinyl)-; NCIOpen2_006899; SureCN5092579;
    • SCHEMBL5092579
    • DTXSID40295291
    • AKOS014922062
    • NSC-101006
    • SMR001570298
    • KKTFGAZNZKVDJT-UHFFFAOYSA-N
    • CHEMBL1699945
    • 101089-46-7
    • 1-phenyl-4-(pyridin-4-yl)butan-1-one
    • Inchi： 1S/C15H15NO/c17-15(14-6-2-1-3-7-14)8-4-5-13-9-11-16-12-10-13/h1-3,6-7,9-12H,4-5,8H2
    • InChI Key： KKTFGAZNZKVDJT-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC=CC=1)CCCC1C=CN=CC=1

Computed Properties

  • Exact Mass: 225.11545
  • Monoisotopic Mass: 225.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 227
  • 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: 2.8
  • Topological Polar Surface Area: 30?2

Experimental Properties

  • PSA: 29.96

1-phenyl-4-pyridin-4-ylbutan-1-one Related Literature

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