Cas no 89913-92-8 (2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-)

2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro- structure
89913-92-8 structure
Product Name:2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-
CAS No:89913-92-8
MF:C13H26N2O
MW:226.358343601227
CID:585356
PubChem ID:13214691
Update Time:2025-04-19

2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro- Chemical and Physical Properties

Names and Identifiers

    • 2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro-
    • 1,3-dibutyl-1,3-diazepan-2-one
    • SCHEMBL10416554
    • 89913-92-8
    • DTXSID00528754
    • Inchi： 1S/C13H26N2O/c1-3-5-9-14-11-7-8-12-15(13(14)16)10-6-4-2/h3-12H2,1-2H3
    • InChI Key： VOVWVIBYJQNCKL-UHFFFAOYSA-N
    • SMILES： O=C1N(CCCC)CCCCN1CCCC

Computed Properties

  • Exact Mass: 226.204513457g/mol
  • Monoisotopic Mass: 226.204513457g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 186
  • 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: 2.7
  • Topological Polar Surface Area: 23.6?2

2H-1,3-Diazepin-2-one, 1,3-dibutylhexahydro- Related Literature

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