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    Technical details about CAS 76272-56-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 76272-56-5

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    2D Structure
    Also known as: 76272-56-5, Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane, 141650-55-7, 76272-41-8, Exo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane, 9-azabicyclo[3.3.1]nonan-3-amine, 9-methyl-
    Molecular Formula
    C9H18N2
    Molecular Weight
    154.25  g/mol
    InChI Key
    HTZWHTQVHWHSHN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
    2.1.2 InChI
    InChI=1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3
    2.1.3 InChI Key
    HTZWHTQVHWHSHN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2CCCC1CC(C2)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 9-methyl-9-azabicyclo(3.3.1)nonan-3-amine

    2. Granatamine

    2.2.2 Depositor-Supplied Synonyms

    1. 76272-56-5

    2. Endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane

    3. 141650-55-7

    4. 76272-41-8

    5. Exo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane

    6. 9-azabicyclo[3.3.1]nonan-3-amine, 9-methyl-

    7. Exo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

    8. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

    9. Mfcd12198832

    10. Exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

    11. Mfcd07374273

    12. Endo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane

    13. Schembl703572

    14. Schembl5827482

    15. Amy20515

    16. Granisetron Impurity E (free Base)

    17. Akos012006914

    18. Ac-1975

    19. Cs-w003398

    20. Pb23491

    21. Pb34711

    22. Ds-12906

    23. Sy002114

    24. Sy005092

    25. Db-063395

    26. Cs-0368347

    27. Ft-0641588

    28. Ft-0744306

    29. En300-91955

    30. 3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

    31. 9-azabicyclo[3.3.1]nonan-3-amine,9-methyl-

    32. 3 -amino-9-methyl-9azabicyclo-[3.3.1]-nonane

    33. 3-amino-9-methyl-9-azabicyclo-[3.3.1]-nonane

    34. (1s,5r)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

    35. Z1505387459

    36. Beta-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane

    37. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine ( Granisetron Impurity E)

    38. Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (granisetron Impurity E)

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 154.25 g/mol
    Molecular Formula C9H18N2
    XLogP30.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass154.146998583 g/mol
    Monoisotopic Mass154.146998583 g/mol
    Topological Polar Surface Area29.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity133
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1