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    CAS 583-68-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 583-68-6, 2-bromo-p-toluidine, Benzenamine, 2-bromo-4-methyl-, 4-amino-3-bromotoluene, 2-bromo-4-methylbenzenamine, 2-bromo-4-methyl-phenylamine
    Molecular Formula
    C7H8BrN
    Molecular Weight
    186.05  g/mol
    InChI Key
    UVRRJILIXQAAFK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-4-methylaniline
    2.1.2 InChI
    InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
    2.1.3 InChI Key
    UVRRJILIXQAAFK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)N)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 583-68-6

    2. 2-bromo-p-toluidine

    3. Benzenamine, 2-bromo-4-methyl-

    4. 4-amino-3-bromotoluene

    5. 2-bromo-4-methylbenzenamine

    6. 2-bromo-4-methyl-phenylamine

    7. 3-bromo-4-aminotoluene

    8. P-toluidine, 2-bromo-

    9. 2-bromo-4-methyl Aniline

    10. Mfcd00007635

    11. 2-bromotoluidine

    12. 4-methyl-2-bromoaniline

    13. O-bromo-p-toluidine

    14. Nsc 7092

    15. Einecs 209-515-7

    16. 2-bromo-4-methyl-aniline

    17. Nsc7092

    18. 2-brom-p-toluidin

    19. 2-bromo-4-toluidine

    20. P-tertbutylbenzyl Bromide

    21. 2-bromanyl-4-methyl-aniline

    22. Schembl79877

    23. Dtxsid1060396

    24. 2-bromo-4-methylaniline, 98%

    25. Uvrrjilixqaafk-uhfffaoysa-

    26. (2-bromo-4-methyl-phenyl)-amine

    27. Zinc388149

    28. Act07006

    29. Nsc-7092

    30. Stl164345

    31. Akos000120492

    32. Cs-w007636

    33. Ps-3357

    34. Db-024147

    35. A8260

    36. Am20040779

    37. B0540

    38. Ft-0611462

    39. C91471

    40. A831851

    41. J-640229

    42. J-800230

    43. J-802066

    44. W-105395

    45. F0001-1523

    46. Z219997484

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 186.05 g/mol
    Molecular Formula C7H8BrN
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass184.98401 g/mol
    Monoisotopic Mass184.98401 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity94.9
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1