Cas no 61422-43-3 (1H-Azepine, 1-cyclohexylhexahydro-)

1H-Azepine, 1-cyclohexylhexahydro- structure
61422-43-3 structure
Product Name:1H-Azepine, 1-cyclohexylhexahydro-
CAS No:61422-43-3
MF:C12H23N
MW:181.31772351265
CID:480089
PubChem ID:14268592
Update Time:2025-04-19

1H-Azepine, 1-cyclohexylhexahydro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine, 1-cyclohexylhexahydro-
    • 1-cyclohexylazepane
    • SCHEMBL21422636
    • DTXSID80558211
    • 61422-43-3
    • Inchi： 1S/C12H23N/c1-2-7-11-13(10-6-1)12-8-4-3-5-9-12/h12H,1-11H2
    • InChI Key： BZISVHOQPWOIIJ-UHFFFAOYSA-N
    • SMILES： N1(CCCCCC1)C1CCCCC1

Computed Properties

  • Exact Mass: 181.18319
  • Monoisotopic Mass: 181.183049738g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 130
  • 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: 3.3
  • Topological Polar Surface Area: 3.2?2

Experimental Properties

  • PSA: 3.24

1H-Azepine, 1-cyclohexylhexahydro- Related Literature

61422-43-3 (1H-Azepine, 1-cyclohexylhexahydro-) Related Products

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