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    CAS 79221-75-3 manufacturers and suppliers on PharmaCompass

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    PharmaCompass

    Chemistry

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    Also known as: 79221-75-3, 1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride, Schembl10978368, Mfcd09673408, Akos000425217, Akos024397512
    Molecular Formula
    C8H16ClNO
    Molecular Weight
    177.67  g/mol
    InChI Key
    NMEVUMYCORKZHD-UHFFFAOYSA-N
    CAS 79221-75-3
    1 2D Structure

    CAS 79221-75-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H15NO.ClH/c10-6-8-5-9-3-1-7(8)2-4-9;/h7-8,10H,1-6H2;1H
    2.1.3 InChI Key
    NMEVUMYCORKZHD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)CO.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 79221-75-3

    2. 1-azabicyclo[2.2.2]octan-3-ylmethanol;hydrochloride

    3. Schembl10978368

    4. Mfcd09673408

    5. Akos000425217

    6. Akos024397512

    7. 1-azabicyclo[2.2.2]oct-3-ylmethanol Hydrochloride

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 177.67 g/mol
    Molecular Formula C8H16ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass177.0920418 g/mol
    Monoisotopic Mass177.0920418 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity118
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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