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    CAS 72235-52-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 72235-52-0, (2,4-difluorophenyl)methanamine, 2,4-difluorobenzyl amine, Benzenemethanamine, 2,4-difluoro-, 1-(2,4-difluorophenyl)methanamine, 8b7tqj9cfs
    Molecular Formula
    C7H7F2N
    Molecular Weight
    143.13  g/mol
    InChI Key
    QDZZDVQGBKTLHV-UHFFFAOYSA-N
    FDA UNII
    8B7TQJ9CFS
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,4-difluorophenyl)methanamine
    2.1.2 InChI
    InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
    2.1.3 InChI Key
    QDZZDVQGBKTLHV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1F)F)CN
    2.2 Other Identifiers
    2.2.1 UNII
    8B7TQJ9CFS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 72235-52-0

    2. (2,4-difluorophenyl)methanamine

    3. 2,4-difluorobenzyl Amine

    4. Benzenemethanamine, 2,4-difluoro-

    5. 1-(2,4-difluorophenyl)methanamine

    6. 8b7tqj9cfs

    7. Einecs 276-502-0

    8. N-difluorobenzylamine

    9. 2,4-difluorbenzylamine

    10. 2.4-difluorobenzylamine

    11. Unii-8b7tqj9cfs

    12. 2,4-difluoro Benzylamine

    13. 2,4-difluoro-benzylamine

    14. Schembl113852

    15. 2,4-difluorobenzenemethanamine

    16. 2,4-difluorobenzylamine, 98%

    17. Dtxsid40222547

    18. Zinc409200

    19. Act12981

    20. Albb-006002

    21. Bcp12876

    22. Mfcd00010142

    23. Stk503663

    24. Akos000134081

    25. Ac-9768

    26. Am62087

    27. Cs-w018261

    28. Ps-8995

    29. Wt81977

    30. Db-019936

    31. D1996

    32. Ft-0610096

    33. Ft-0658722

    34. En300-35048

    35. A22194

    36. W-104494

    37. F2190-0536

    38. Z1262252941

    39. 2,4-difluoro-benzylamine;(2,4-difluorophenyl)methanamine

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 143.13 g/mol
    Molecular Formula C7H7F2N
    XLogP31
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass143.05465555 g/mol
    Monoisotopic Mass143.05465555 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity108
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1