Cas no 61546-92-7 (5(2H)-Azecinone, octahydro-1-methyl-)

5(2H)-Azecinone, octahydro-1-methyl- structure
61546-92-7 structure
Product Name:5(2H)-Azecinone, octahydro-1-methyl-
CAS No:61546-92-7
MF:C10H19NO
MW:169.263962984085
CID:475367
PubChem ID:12342737
Update Time:2025-04-19

5(2H)-Azecinone, octahydro-1-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5(2H)-Azecinone, octahydro-1-methyl-
    • 1-methylazecan-5-one
    • 61546-92-7
    • DTXSID50492259
    • Inchi: 1S/C10H19NO/c1-11-8-4-2-3-6-10(12)7-5-9-11/h2-9H2,1H3
    • InChI Key: FJQRYFLLHBBCAK-UHFFFAOYSA-N
    • SMILES: O=C1CCCN(C)CCCCC1

Computed Properties

  • Exact Mass: 169.14677
  • Monoisotopic Mass: 169.146664230g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 145
  • 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: 1.1
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • PSA: 20.31
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