Cas no 749791-73-9 (4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI))

4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI) structure
749791-73-9 structure
Product Name:4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI)
CAS No:749791-73-9
MF:C9H17NO
MW:155.237382650375
CID:561448
Update Time:2023-03-29

4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-
    • 4H-Azepin-4-one,hexahydro-1-(1-methylethyl)-(9CI)
    • Inchi: 1S/C9H17NO/c1-8(2)10-6-3-4-9(11)5-7-10/h8H,3-7H2,1-2H3
    • InChI Key: XVKDTWAXFZTAKU-UHFFFAOYSA-N
    • SMILES: N1(C(C)C)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: 1
  • Complexity: 143
  • 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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