Cas no 18161-94-9 (Tetrahydrocytisine)

Tetrahydrocytisine structure
Tetrahydrocytisine structure
Product Name:Tetrahydrocytisine
CAS No:18161-94-9
MF:C11H18N2O
MW:194.273422718048
CID:2043109
PubChem ID:97046450
Update Time:2025-04-21

Tetrahydrocytisine Chemical and Physical Properties

Names and Identifiers

    • Tetrahydrocytisine
    • 1,2,3,4,5,6,9,10,11,11a-Decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
    • DTXSID701154011
    • (1R,5S,11AS)-octahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
    • MFCD31540890
    • (1R,2S,9S)-7,11-Diazatricyclo[7.3.1.02,7]tridecan-6-one
    • EN300-7541904
    • (1R,2S,9S)-7,11-diazatricyclo[7.3.1.0(2),?]tridecan-6-one
    • (1R,5S,11aS)-Decahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
    • 18161-94-9
    • (1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0(2,7)]tridecan-6-one
    • (1R,2S,9S)-7,11-diazatricyclo[7.3.1.0,2,7]tridecan-6-one
    • (1R,2S,9S)-7,11-Diazatricyclo[7.3.1.0~2,7~]tridecan-6-one
    • Inchi: 1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2
    • InChI Key: KWVYCGMBGRYVQH-UHFFFAOYSA-N
    • SMILES: O=C1N2C(C3CC(C2)CNC3)CCC1

Computed Properties

  • Exact Mass: 194.141913202Da
  • Monoisotopic Mass: 194.141913202Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.241
  • Topological Polar Surface Area: 32.3?2

Tetrahydrocytisine Pricemore >>

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Aaron
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