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    CAS 214759-21-4

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    CAS 214759-21-4
    Also known as: 214759-21-4, 2,4,6-trifluorobenzylamine, 2,4,6-trifluorobenzyl amine, Benzenemethanamine, 2,4,6-trifluoro-, Mfcd00236317, 1-(2,4,6-trifluorophenyl)methylamine
    Molecular Formula
    C7H6F3N
    Molecular Weight
    161.12  g/mol
    InChI Key
    RCHOKTKXVKKNBC-UHFFFAOYSA-N
    1 2D Structure

    CAS 214759-21-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,4,6-trifluorophenyl)methanamine
    2.1.2 InChI
    InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2
    2.1.3 InChI Key
    RCHOKTKXVKKNBC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1F)CN)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 214759-21-4

    2. 2,4,6-trifluorobenzylamine

    3. 2,4,6-trifluorobenzyl Amine

    4. Benzenemethanamine, 2,4,6-trifluoro-

    5. Mfcd00236317

    6. 1-(2,4,6-trifluorophenyl)methylamine

    7. Trifluorophenyl)methanamine

    8. Schembl857045

    9. 2,4,6-trifluorobenzyl Amine,

    10. Dtxsid90380348

    11. 2,4,6-trifluorobenzenemethanamine

    12. Act00447

    13. Amy12366

    14. Bcp26105

    15. Zinc2560211

    16. Ck2435

    17. Akos009157965

    18. Sb76323

    19. 2,4,6-trifluorobenzyl Amine, Aldrichcpr

    20. Ac-30683

    21. As-18208

    22. Sy101453

    23. Db-005847

    24. Cs-0034440

    25. Ft-0650849

    26. 2,4,6-trif(2,4,6-trifluorophenyl)methanamine

    27. A815404

    28. N,n,n-tri-p-tosyldiethylenetriamine,disodiumsalt

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 161.12 g/mol
    Molecular Formula C7H6F3N
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass161.04523368 g/mol
    Monoisotopic Mass161.04523368 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity119
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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