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    Chemistry

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    Also known as: 88644-21-7, 1-azabicyclo[2.2.2]octane-3-methanol, (s)-, (s)-quinuclidine-3-methanol, Schembl18268169, Zinc6658105
    Molecular Formula
    C8H15NO
    Molecular Weight
    141.21  g/mol
    InChI Key
    GUAWHSHTXVVCLZ-QMMMGPOBSA-N
    CAS 88644-21-7
    1 2D Structure

    CAS 88644-21-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S)-1-azabicyclo[2.2.2]octan-3-yl]methanol
    2.1.2 InChI
    InChI=1S/C8H15NO/c10-6-8-5-9-3-1-7(8)2-4-9/h7-8,10H,1-6H2/t8-/m0/s1
    2.1.3 InChI Key
    GUAWHSHTXVVCLZ-QMMMGPOBSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)CO
    2.1.5 Isomeric SMILES
    C1CN2CCC1[C@@H](C2)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88644-21-7

    2. 1-azabicyclo[2.2.2]octane-3-methanol, (s)-

    3. (s)-quinuclidine-3-methanol

    4. Schembl18268169

    5. Zinc6658105

    2.3 Create Date
    2006-07-30
    3 Chemical and Physical Properties
    Molecular Weight 141.21 g/mol
    Molecular Formula C8H15NO
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass141.115364102 g/mol
    Monoisotopic Mass141.115364102 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity118
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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