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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: (9-isopropyl-9-azabicyclo[3.3.1]nonan-3-yl)methanol, 1209437-82-0, Akos026743601, Cs-0355069, En300-89035
    Molecular Formula
    C12H23NO
    Molecular Weight
    197.32  g/mol
    InChI Key
    UDXYDGOWXCGIFZ-UHFFFAOYSA-N
    CAS 1209437-82-0
    1 2D Structure

    CAS 1209437-82-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl)methanol
    2.1.2 InChI
    InChI=1S/C12H23NO/c1-9(2)13-11-4-3-5-12(13)7-10(6-11)8-14/h9-12,14H,3-8H2,1-2H3
    2.1.3 InChI Key
    UDXYDGOWXCGIFZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N1C2CCCC1CC(C2)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. (9-isopropyl-9-azabicyclo[3.3.1]nonan-3-yl)methanol

    2. 1209437-82-0

    3. Akos026743601

    4. Cs-0355069

    5. En300-89035

    2.3 Create Date
    2010-06-21
    3 Chemical and Physical Properties
    Molecular Weight 197.32 g/mol
    Molecular Formula C12H23NO
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area23.5
    Heavy Atom Count14
    Formal Charge0
    Complexity179
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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