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    Chemistry

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    Also known as: 865887-14-5, Quinuclidin-3-ylmethanamine 2hcl, 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride, Schembl1966490, Mfcd28891691, Quinuclidin-3-ylmethanaminedihydrochloride
    Molecular Formula
    C8H18Cl2N2
    Molecular Weight
    213.15  g/mol
    InChI Key
    IWUXYDCAXVQVRL-UHFFFAOYSA-N
    CAS 865887-14-5
    1 2D Structure

    CAS 865887-14-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C8H16N2.2ClH/c9-5-8-6-10-3-1-7(8)2-4-10;;/h7-8H,1-6,9H2;2*1H
    2.1.3 InChI Key
    IWUXYDCAXVQVRL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)CN.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 865887-14-5

    2. Quinuclidin-3-ylmethanamine 2hcl

    3. 1-azabicyclo[2.2.2]octan-3-ylmethanamine;dihydrochloride

    4. Schembl1966490

    5. Mfcd28891691

    6. Quinuclidin-3-ylmethanaminedihydrochloride

    7. Quinuclidin-3-ylmethanamine Dihydrochloride

    8. C77543

    9. 1-(1-azabicyclo[2.2.2]oct-3-yl)methanamine Dihydrochloride

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 213.15 g/mol
    Molecular Formula C8H18Cl2N2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass212.0847040 g/mol
    Monoisotopic Mass212.0847040 g/mol
    Topological Polar Surface Area29.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity116
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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