Cas no 786584-56-3 (4H-Azepin-4-one,hexahydro-1-propyl-)

4H-Azepin-4-one,hexahydro-1-propyl- structure
786584-56-3 structure
Product Name:4H-Azepin-4-one,hexahydro-1-propyl-
CAS No:786584-56-3
MF:C9H17NO
MW:155.237382650375
CID:554535
Update Time:2022-09-23

4H-Azepin-4-one,hexahydro-1-propyl- Chemical and Physical Properties

Names and Identifiers

    • 4H-Azepin-4-one,hexahydro-1-propyl-
    • 4H-Azepin-4-one,hexahydro-1-propyl-(9CI)
    • Inchi: 1S/C9H17NO/c1-2-6-10-7-3-4-9(11)5-8-10/h2-8H2,1H3
    • InChI Key: PTLBSSRFEQRYBI-UHFFFAOYSA-N
    • SMILES: N1(CCC)CCCC(=O)CC1

Computed Properties

  • Exact Mass: 155.131
  • Monoisotopic Mass: 155.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 134
  • 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: 20.3A^2
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