Cas no 14389-38-9 (2(1H)-Azecinone,octahydro-1-methyl-)

2(1H)-Azecinone,octahydro-1-methyl- structure
14389-38-9 structure
Product Name:2(1H)-Azecinone,octahydro-1-methyl-
CAS No:14389-38-9
MF:C10H19NO
MW:169.263962984085
CID:206396
PubChem ID:139751
Update Time:2025-04-19

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

Names and Identifiers

    • 2(1H)-Azecinone,octahydro-1-methyl-
    • 1-Azacyclodecan-2-one, 1-methyl-
    • 1-methylazecan-2-one
    • DTXSID40162570
    • 14389-38-9
    • SCHEMBL6885804
    • Inchi: 1S/C10H19NO/c1-11-9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3
    • InChI Key: BFXMPTMJHSDQSY-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCCCCN1C

Computed Properties

  • Exact Mass: 169.14677
  • Monoisotopic Mass: 169.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • 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: 1.8
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 0.915
  • Boiling Point: 289°Cat760mmHg
  • Flash Point: 120.5°C
  • Refractive Index: 1.452
  • PSA: 20.31
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