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    CAS 123536-14-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 123536-14-1, (r)-(+)-3-aminoquinuclidine dihydrochloride, (r)-quinuclidin-3-amine dihydrochloride, (3r)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (3r)-quinuclidin-3-amine dihydrochloride, (r)-(+)-3-aminoquinuclidine dihcl
    Molecular Formula
    C7H16Cl2N2
    Molecular Weight
    199.12  g/mol
    InChI Key
    STZHBULOYDCZET-KLXURFKVSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H/t7-;;/m0../s1
    2.1.3 InChI Key
    STZHBULOYDCZET-KLXURFKVSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)N.Cl.Cl
    2.1.5 Isomeric SMILES
    C1CN2CCC1[C@H](C2)N.Cl.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 123536-14-1

    2. (r)-(+)-3-aminoquinuclidine Dihydrochloride

    3. (r)-quinuclidin-3-amine Dihydrochloride

    4. (3r)-1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride

    5. (3r)-quinuclidin-3-amine Dihydrochloride

    6. (r)-(+)-3-aminoquinuclidine Dihcl

    7. (r)-3-aminoquinuclidine 2hcl

    8. (r)-1-aza-bicyclo[2.2.2]oct-3-ylamine Dihydrochloride

    9. 1-azabicyclo[2.2.2]octan-3-amine, Dihydrochloride, (3r)-

    10. (r)-3-aminoquinuclidine Dihcl

    11. Mfcd00191753

    12. (3r)-1-azabicyclo[2.2.2]octan-3-amine Hydrochloride

    13. (3s)-quinuclidin-3-amine Dihydrochloride

    14. Schembl260467

    15. Amy37671

    16. (r)-3-aminoquinuclidinedihydrochloride

    17. 3(r)-aminoquinuclidine Dihydrochloride

    18. Akos015845596

    19. Akos015894519

    20. Akos034830316

    21. (r)-quinuclidin-3-amine Dihyrochloride

    22. Ac-4631

    23. 3-(r)-aminoquinuclidine Dihydrochloride

    24. As-32809

    25. Ds-10734

    26. R-(+)-3-aminoquinuclidine Dihydrochloride

    27. (r)-(+)-3-aminoquinuclidine 2hcl

    28. Db-005524

    29. (3r)-3-aminoquinuclidine Dihydrochloride

    30. 536a141

    31. A805116

    32. (r)-(+)-3-aminoquinuclidine Dihydrochloride, 98%

    33. Q-100108

    34. (r)-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

    35. (r)-(+)-3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride

    36. 1-azabicyclo[2.2.2]octan-3-amine, Hydrochloride (1:2), (3r)-

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 199.12 g/mol
    Molecular Formula C7H16Cl2N2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass198.0690539 g/mol
    Monoisotopic Mass198.0690539 g/mol
    Topological Polar Surface Area29.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity106
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3