Cas no 45732-65-8 (1-Azabicyclo[2.2.2]octane, 4-ethyl-)

1-Azabicyclo[2.2.2]octane, 4-ethyl- structure
45732-65-8 structure
Product Name:1-Azabicyclo[2.2.2]octane, 4-ethyl-
CAS No:45732-65-8
MF:C9H17N
MW:139.23798251152
CID:2669331
PubChem ID:142666
Update Time:2025-04-21

1-Azabicyclo[2.2.2]octane, 4-ethyl- Chemical and Physical Properties

Names and Identifiers

    • 4-ethyl-1-azabicyclo[2.2.2]octane
    • Q ET
    • 1-ethyl quinicludinium bromide, N-ethyl quinuclidinium bromide.
    • 4-Ethylquinuclidine #
    • SCHEMBL12256561
    • 1-Azabicyclo[2.2.2]octane, 4-ethyl-
    • DTXSID20196611
    • ZLPCABMSTVWUGB-UHFFFAOYSA-N
    • 4-Ethylquinuclidine
    • 1-Azabicyclo(2.2.2)octane, 4-ethyl-
    • 45732-65-8
    • DTXCID60119102
    • Inchi: 1S/C9H17N/c1-2-9-3-6-10(7-4-9)8-5-9/h2-8H2,1H3
    • InChI Key: ZLPCABMSTVWUGB-UHFFFAOYSA-N
    • SMILES: N12CCC(CC)(CC1)CC2

Computed Properties

  • Exact Mass: 139.136099547Da
  • Monoisotopic Mass: 139.136099547Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 109
  • 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: 2.1
  • Topological Polar Surface Area: 3.2?2
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