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    CAS 1156491-10-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1156491-10-9, (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine hydrochloride, 1402222-66-5, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine hcl, 1006614-49-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
    Molecular Formula
    C9H10ClF2N
    Molecular Weight
    205.63  g/mol
    InChI Key
    IMYLOCHFFLYHPS-RDNZEXAOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
    2.1.2 InChI
    InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m0./s1
    2.1.3 InChI Key
    IMYLOCHFFLYHPS-RDNZEXAOSA-N
    2.1.4 Canonical SMILES
    C1C(C1N)C2=CC(=C(C=C2)F)F.Cl
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1156491-10-9

    2. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

    3. 1402222-66-5

    4. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine Hcl

    5. 1006614-49-8

    6. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride

    7. (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine Hydrochloride

    8. Trans-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

    9. Mfcd16875501

    10. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine Hydrochloride

    11. Schembl15058586

    12. Amy3284

    13. Cs-m1888

    14. Cs-m2272

    15. Akos016004061

    16. Ex-7184

    17. Cyclopropanamine, 2-(3,4-difluorophenyl)-, Hydrochloride (1:1), (1r,2s)-rel-

    18. Ac-29734

    19. As-19951

    20. Db-126228

    21. D97169

    22. A846831

    23. A885884

    24. Trans-2-(3,4-difluorophenyl)cyclopropanamine Hcl

    25. J-500274

    26. (1r,25)-2-(3,4-difluorophenyl)cyclopropaneamine Hcl

    27. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine Hcl

    28. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanaminehydrochloride

    29. (1r-trans)-2-(3,4-difluorophenyl)cyclopropaneamine Hydrochloride

    30. Rel-(1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine Hydrochloride

    2.3 Create Date
    2011-05-31
    3 Chemical and Physical Properties
    Molecular Weight 205.63 g/mol
    Molecular Formula C9H10ClF2N
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass205.0469833 g/mol
    Monoisotopic Mass205.0469833 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2