Cas no 171257-01-5 (Azepan-3-one)

Azepan-3-one structure
Azepan-3-one structure
Product Name:Azepan-3-one
CAS No:171257-01-5
MF:C6H11NO
MW:113.157641649246
MDL:MFCD19219345
CID:2098588
PubChem ID:15793166
Update Time:2025-08-05

Azepan-3-one Chemical and Physical Properties

Names and Identifiers

    • perhydro-azepin-3-one
    • azepan-3-one
    • 3H-Azepin-3-one, hexahydro-
    • FCH954133
    • Azepan-3-one
    • MDL: MFCD19219345
    • Inchi: 1S/C6H11NO/c8-6-3-1-2-4-7-5-6/h7H,1-5H2
    • InChI Key: XYGKKJHGZOGVBL-UHFFFAOYSA-N
    • SMILES: O=C1CNCCCC1

Computed Properties

  • Exact Mass: 113.084063974g/mol
  • Monoisotopic Mass: 113.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 90.5
  • 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: 29.1
  • XLogP3: 0.1

Azepan-3-one Pricemore >>

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