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    Technical details about CAS 22766-68-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 22766-68-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 22766-68-3, Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate, Ethyl 4-quinuclidinecarboxylate, 1-azabicyclo[2.2.2]octane-4-carboxylic acid, ethyl ester, Mfcd19686937, 1-azabicyclo[2.2.2]octane-4-carboxylic acid ethyl ester
    Molecular Formula
    C10H17NO2
    Molecular Weight
    183.25  g/mol
    InChI Key
    MMXIVBVOFFBDEB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate
    2.1.2 InChI
    InChI=1S/C10H17NO2/c1-2-13-9(12)10-3-6-11(7-4-10)8-5-10/h2-8H2,1H3
    2.1.3 InChI Key
    MMXIVBVOFFBDEB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C12CCN(CC1)CC2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 22766-68-3

    2. Ethyl 1-azabicyclo[2.2.2]octane-4-carboxylate

    3. Ethyl 4-quinuclidinecarboxylate

    4. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid, Ethyl Ester

    5. Mfcd19686937

    6. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid Ethyl Ester

    7. 4-quinuclidinecarboxylic Acid, Ethyl Ester

    8. Ethylquinuclidine-4-carboxylate

    9. 4-(ethoxycarbonyl)quinuclidine

    10. Schembl3220818

    11. Dtxsid20341487

    12. Ethyl Quinucli-dine-4-carboxylate

    13. Ethyl Quinuclidine-4-carboxylate #

    14. Amy30051

    15. Cs-m1578

    16. Zinc32135163

    17. Sb17914

    18. Da-43160

    19. Ds-17374

    20. Sy033082

    21. Quinuclidine-4-carboxylic Acid Ethyl Ester

    22. Ft-0702092

    23. F11935

    24. A878449

    25. 1-azabicyclo[2.2.2]octane-4-carboxylic Acid,ethyl Ester

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 183.25 g/mol
    Molecular Formula C10H17NO2
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass183.125928785 g/mol
    Monoisotopic Mass183.125928785 g/mol
    Topological Polar Surface Area29.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1