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    Technical details about CAS 123536-15-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 123536-15-2

    Manufacturers/Suppliers

    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: 123536-15-2, (3r)-1-azabicyclo[2.2.2]octan-3-amine, 1-azabicyclo[2.2.2]octan-3-amine, (3r)-, (r)-3-aminoquinuclidine, (r)-1-aza-bicyclo[2.2.2]oct-3-ylamine, Chembl1256003
    Molecular Formula
    C7H14N2
    Molecular Weight
    126.20  g/mol
    InChI Key
    REUAXQZIRFXQML-ZETCQYMHSA-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
    2.1.2 InChI
    InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1
    2.1.3 InChI Key
    REUAXQZIRFXQML-ZETCQYMHSA-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. 123536-15-2

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

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

    4. (r)-3-aminoquinuclidine

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

    6. Chembl1256003

    7. 3(r)-aminoquinuclidine

    8. 3alpha-aminoquinuclidine

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

    10. (3r)-quinuclidin-3-amine

    11. Schembl427062

    12. (r)-(+)-3-aminoquinuclidine

    13. Schembl14542622

    14. Reuaxqzirfxqml-zetcqymhsa-

    15. Bdbm50417098

    16. Mfcd08669630

    17. Zinc19202664

    18. (3r)-aminoquinuclidine Dihydrochloride

    19. Akos006337754

    20. Akos027327929

    21. Ncgc00164614-01

    22. As-47281

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

    24. (8s)-1-azabicyclo[2.2.2]octan-8-amine

    25. Cs-0001448

    26. (r)-(1-aza-bicyclo[2.2.2]oct-3-yl)amine

    27. (r)-(+)-1-azabicyclo[2.2.2]octan-3-amine

    28. F13073

    29. A927560

    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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