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    CAS 220352-38-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 220352-38-5, 1006614-49-8, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine, Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1r,2s)-, (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine, (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine
    Molecular Formula
    C9H9F2N
    Molecular Weight
    169.17  g/mol
    InChI Key
    QVUBIQNXHRPJKK-IMTBSYHQSA-N
    FDA UNII
    OIY4B72TG1
    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
    2.1.2 InChI
    InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1
    2.1.3 InChI Key
    QVUBIQNXHRPJKK-IMTBSYHQSA-N
    2.1.4 Canonical SMILES
    C1C(C1N)C2=CC(=C(C=C2)F)F
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F
    2.2 Other Identifiers
    2.2.1 UNII
    OIY4B72TG1
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 220352-38-5

    2. 1006614-49-8

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

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

    5. (1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine

    6. (1r,2s)-2-(3,4-difluoro-phenyl)-cyclopropylamine

    7. Oiy4b72tg1

    8. (1r, 2s)-rel-2-(3, 4-difluorophenyl)cyclopropanamine

    9. (1r,2s)-2-(3,4-difluorophenyl)cyclopropylamine

    10. 2-(3,4-difluorophenyl)cyclopropanamine, (1r,2s)-

    11. Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1r,2s)-rel-

    12. Unii-oiy4b72tg1

    13. Schembl245340

    14. Ambz0380

    15. Ticagrelor Related Compound 31

    16. Chembl4589166

    17. Dtxsid70431443

    18. Mfcd16621156

    19. Zinc33975233

    20. Akos015951193

    21. Ac-25874

    22. Am20090745

    23. Cs-0006751

    24. A850997

    25. (1r-trans)-2-(3,4-difluorophenyl)cyclopropanamine

    26. (1r,2s)-2-(3,4-difluorophenyl)cyclopropane-1-amine

    27. Cyclopropanamine,2-(3,4-difluorophenyl)-,(1r,2s)-

    28. F1916-7272

    29. (1r Trans)-2-(3,4-difluorophenyl)cyclopropane Amine

    30. Trans-(1r,2s)-2-(3,4-difluorophenyl)cyclopropylamine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 169.17 g/mol
    Molecular Formula C9H9F2N
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass169.07030562 g/mol
    Monoisotopic Mass169.07030562 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count12
    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 Count1