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    CAS 143062-84-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 143062-84-4, (1r,2s)-2-fluorocyclopropylamine tosylate, (1r,2s)-fluorocyclopropylamine tosylate, 143062-73-1, (1r,2s)-2-fluorocyclopropylamine p-toluenesulfonic acid salt, Cyclopropanamine, 2-fluoro-, cis-, 4-methylbenzenesulfonate
    Molecular Formula
    C10H14FNO3S
    Molecular Weight
    247.29  g/mol
    InChI Key
    XUWZMHVPMZXIRU-LMLSDSMGSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-fluorocyclopropan-1-amine;4-methylbenzenesulfonic acid
    2.1.2 InChI
    InChI=1S/C7H8O3S.C3H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3(2)5/h2-5H,1H3,(H,8,9,10);2-3H,1,5H2/t;2-,3+/m.0/s1
    2.1.3 InChI Key
    XUWZMHVPMZXIRU-LMLSDSMGSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C1F)N
    2.1.5 Isomeric SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H]([C@H]1F)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 143062-84-4

    2. (1r,2s)-2-fluorocyclopropylamine Tosylate

    3. (1r,2s)-fluorocyclopropylamine Tosylate

    4. 143062-73-1

    5. (1r,2s)-2-fluorocyclopropylamine P-toluenesulfonic Acid Salt

    6. Cyclopropanamine, 2-fluoro-, Cis-, 4-methylbenzenesulfonate

    7. (1r,2s)-2-fluorocyclopropan-1-amine;4-methylbenzenesulfonic Acid

    8. (1r,2s)-2-fluorocyclopropan-1-amine; 4-methylbenzene-1-sulfonic Acid

    9. Cis-2-fluorocyclopropanamine 4-methylbenzenesulfonate

    10. Mfcd01861147

    11. (1r,2s)-fluorocyclopropylaminetosylate

    12. Ambz0385

    13. Schembl1477176

    14. (1r,2s)-2-fluorocyclopropanamine4-methylbenzenesulfonate

    15. Dtxsid00693592

    16. Cs3396

    17. Akos015854141

    18. Akos016004123

    19. Am85581

    20. Cs-w005880

    21. Ds-3733

    22. Ac-22722

    23. Ac-23953

    24. 062f844

    25. Cis-2-fluorocyclopropanamine-4-methylbenzenesulfonate

    26. Cis-2-fluorocyclopropanamine4-methylbenzenesulfonate

    27. (1r, 2s)-2-fluoro-1-cyclopropylamine P-toluene Sulfonate

    28. (1r, 2s)-2-fluorocyclopropylamine 4-methylbenzenesulfonate

    29. (1r,2s)-2-fluorocyclopropan-1-amine 4-methylbenzenesulfonate

    30. (1r,2s)-2-fluorocyclopropanaminium 4-methylbenzenesulphonate

    31. 2-(s)-fluoro-1-(r)-cyclopropylamine P-toluenesulfonic Acid Salt

    32. (1r,2s)-2-fluorocyclopropan-1-amine 4-methylbenzene-1-sulfonic Acid

    33. 4-methylbenzene-1-sulfonic Acid--(1r,2s)-2-fluorocyclopropan-1-amine (1/1)

    2.3 Create Date
    2011-09-06
    3 Chemical and Physical Properties
    Molecular Weight 247.29 g/mol
    Molecular Formula C10H14FNO3S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass247.06784264 g/mol
    Monoisotopic Mass247.06784264 g/mol
    Topological Polar Surface Area88.8 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity253
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2