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    3-Quinuclidinone Hydrochloride

    BUILDING BLOCK

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    2D Structure
    Also known as: 1193-65-3, Quinuclidin-3-one hydrochloride, 3-quinuclidone hydrochloride, 1-azabicyclo[2.2.2]octan-3-one hydrochloride, 3-quinuclidinone hcl, 3-quinuclidinone, hcl
    Molecular Formula
    C7H12ClNO
    Molecular Weight
    161.63  g/mol
    InChI Key
    RFDPHKHXPMDJJD-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-azabicyclo[2.2.2]octan-3-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H
    2.1.3 InChI Key
    RFDPHKHXPMDJJD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(=O)C2.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1193-65-3

    2. Quinuclidin-3-one Hydrochloride

    3. 3-quinuclidone Hydrochloride

    4. 1-azabicyclo[2.2.2]octan-3-one Hydrochloride

    5. 3-quinuclidinone Hcl

    6. 3-quinuclidinone, Hcl

    7. 1-azabicyclo[2.2.2]octan-3-one, Hydrochloride

    8. Mfcd00137391

    9. 1-azabicyclo[2.2.2]octan-3-one;hydrochloride

    10. 3-quinuclidnone Hydrochloride

    11. 1-azabicyclo(2.2.2)octan-3-one, Hydrochloride

    12. 1-azabicyclo[2.2.2]octan-3-one;hydron;chloride

    13. 1-azabicyclo(2.2.2)octan-3-one, Hydrochloride (1:1)

    14. C7h12clno

    15. 1-azabicyclo[2.2.2]octan-3-one, Hydrochloride (1:1)

    16. Einecs 214-776-5

    17. Nsc 91498

    18. C7h11nohcl

    19. 3-quinuclidnone Hcl

    20. Schembl232525

    21. Quinuclidin-3-one Chlorhydrate

    22. Chembl554124

    23. Schembl3641783

    24. 8.3-quinuclidinone Hcl

    25. Dtxsid4061599

    26. Quinuclidine-3-one Hydrochloride

    27. Quinuclidine-3-one-hydrochloride

    28. 3-quinuclidone Hydrochloride, 97%

    29. Bcp26517

    30. Cs-b0277

    31. Nsc91498

    32. Nsc-91498

    33. Akos015848573

    34. Akos015897101

    35. Ac-2041

    36. Am86381

    37. Sb31630

    38. (1s,4s)-quinuclidin-3-one Hydrochloride

    39. As-13094

    40. As-44249

    41. Bp-12544

    42. Sy003508

    43. Db-028580

    44. Ft-0616382

    45. Q0052

    46. En300-21346

    47. 1-azabicyclo[2.2.2]-octan-3-one Hydrochloride

    48. 193q653

    49. Q-100090

    50. F0001-0318

    51. Quinuclidin-3-one Hydrochloride;3-quinuclidone Hydrochloride

    52. 3-quinuclidinone Hydrochloride (6ci,7ci,8ci) 3-oxoquinuclidinehydrochloride

    2.2.2 Other Synonyms

    1. 1193-65-3

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 161.63 g/mol
    Molecular Formula C7H12ClNO
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass161.0607417 g/mol
    Monoisotopic Mass161.0607417 g/mol
    Topological Polar Surface Area20.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity136
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2