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    CAS 119904-90-4 manufacturers and suppliers on PharmaCompass

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    1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2), (3S)-

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    1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2), (3S)-
    Also known as: 119904-90-4, (s)-quinuclidin-3-amine dihydrochloride, (s)-(-)-3-aminoquinuclidine dihydrochloride, (3s)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride, (s)-3-aminoquinuclidine dihcl, (3s)-aminoquinuclidine dihydrochloride
    Molecular Formula
    C7H16Cl2N2
    Molecular Weight
    199.12  g/mol
    InChI Key
    STZHBULOYDCZET-XCUBXKJBSA-N
    1 2D Structure

    1-Azabicyclo[2.2.2]octan-3-amine, hydrochloride (1:2), (3S)-

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-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-;;/m1../s1
    2.1.3 InChI Key
    STZHBULOYDCZET-XCUBXKJBSA-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. 119904-90-4

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

    3. (s)-(-)-3-aminoquinuclidine Dihydrochloride

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

    5. (s)-3-aminoquinuclidine Dihcl

    6. (3s)-aminoquinuclidine Dihydrochloride

    7. (3s)-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride

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

    9. (3s)-3-aminoquinuclidine Dihydrochloride

    10. 1-azabicyclo[2.2.2]octan-3-amine, Dihydrochloride, (3s)-

    11. (s)-3-aminoquinuclidine Hydrochloride

    12. (s)-(-)-3-aminoquinuclidine 2hcl

    13. Mfcd00191752

    14. (s)-3-aminoquinuclidine 2hcl

    15. (3s)-quinuclidin-3-amine Dihydrochloride

    16. Schembl222751

    17. Amy4418

    18. Dtxsid60500339

    19. Act02255

    20. Bcp04328

    21. Cs-m1833

    22. 3(s)-aminoquinuclidine Dihydrochloride

    23. Akos015897102

    24. Akos016842379

    25. (s)-quinuclidin-3-aminedihydrochloride

    26. Ac-1559

    27. Gs-3133

    28. 3-(s)-aminoquinuclidine Dihydrochloride

    29. Ds-12235

    30. S-(-)-3-aminoquinuclidine Dihydrochloride

    31. Db-005556

    32. 904a904

    33. A804391

    34. (s)-(-)-3-aminoquinuclidine Dihydrochloride, 98%

    35. Q-100095

    36. (3s)-1-azabicyclo[2.2.2]octan-3-amine Hydrochloride

    37. (s)-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

    38. (s)-n-1-azabicyclo[2.2.2]oct-3-ylamine Dihydrochloride

    39. (s)-3-amino-1-azabicyclo[2.2.2]octane Dihydrochloride Salt

    40. (3s)-1-azabicyclo[2.2.2]octan-3-amine--hydrogen Chloride (1/2)

    41. 1-azabicyclo[2.2.2]octan-3-amine, Hydrochloride (1:2), (3s)-

    42. (3s)-1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride ((3s)-3-aminoquinuclidine Dihydrochloride)

    43. 2-quinuclidin-3-yl-3a,4,5,6-tetrahydro-3h-benzo[de]isoquinolin-1-one Hydrochloride;(s)-quinuclidin-3-amine Dihydrochloride

    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
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      A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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