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    Technical details about CAS 120570-05-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 120570-05-0

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 120570-05-0, (3s)-1-azabicyclo[2.2.2]octan-3-amine, (s)-1-aza-bicyclo[2.2.2]oct-3-ylamine, 1-azabicyclo[2.2.2]octan-3-amine, (s)-, (s)-3-aminoquinuclidine, (s)-3-amino-1-azabicyclo[2.2.2]octane
    Molecular Formula
    C7H14N2
    Molecular Weight
    126.20  g/mol
    InChI Key
    REUAXQZIRFXQML-SSDOTTSWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3S)-1-azabicyclo[2.2.2]octan-3-amine
    2.1.2 InChI
    InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m1/s1
    2.1.3 InChI Key
    REUAXQZIRFXQML-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    C1CN2CCC1C(C2)N
    2.1.5 Isomeric SMILES
    C1CN2CCC1[C@@H](C2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 120570-05-0

    2. (3s)-1-azabicyclo[2.2.2]octan-3-amine

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

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

    5. (s)-3-aminoquinuclidine

    6. (s)-3-amino-1-azabicyclo[2.2.2]octane

    7. (s)-3-aminoquinuclidine Hydrochloride

    8. 1,2-diphenyl Hydrazine

    9. (3s)-quinuclidine-3-amine

    10. Schembl47241

    11. (s)-(-)-3-aminoquinuclidine

    12. Schembl17203543

    13. Albb-035144

    14. Bcp08732

    15. Cs-b0281

    16. Mfcd08669631

    17. Zinc19202661

    18. Akos006237379

    19. Akos017344552

    20. As-39361

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

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

    23. (s)-(1-aza-bicyclo[2.2.2]oct-3-yl)amine

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 126.20 g/mol
    Molecular Formula C7H14N2
    XLogP3-0.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass126.115698455 g/mol
    Monoisotopic Mass126.115698455 g/mol
    Topological Polar Surface Area29.3 Ų
    Heavy Atom Count9
    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 Count1
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