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    CAS 2941-78-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2941-78-8, 5-methylanthranilic acid, 6-amino-m-toluic acid, Benzoic acid, 2-amino-5-methyl-, M-toluic acid, 6-amino-, 2-amino-5-methylbenzoicacid
    Molecular Formula
    C8H9NO2
    Molecular Weight
    151.16  g/mol
    InChI Key
    NBUUUJWWOARGNW-UHFFFAOYSA-N
    FDA UNII
    418XAJ22V2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-5-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11)
    2.1.3 InChI Key
    NBUUUJWWOARGNW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=C(C=C1)N)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    418XAJ22V2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2941-78-8

    2. 5-methylanthranilic Acid

    3. 6-amino-m-toluic Acid

    4. Benzoic Acid, 2-amino-5-methyl-

    5. M-toluic Acid, 6-amino-

    6. 2-amino-5-methylbenzoicacid

    7. 2-amino-5-methyl-benzoic Acid

    8. Mfcd00007909

    9. 5-methyl-2-aminobenzoic Acid

    10. 2-azanyl-5-methyl-benzoic Acid

    11. 418xaj22v2

    12. Nsc-39154

    13. Nsc-50786

    14. 5-methylanthranilate

    15. 2-carboxy-4-methylaniline

    16. Unii-418xaj22v2

    17. 2-amino-5-methyl Benzoic Acid

    18. Einecs 220-932-3

    19. 5-methyl-anthranilic Acid

    20. 2-amino-5-metylbenzoic Acid

    21. 2-amino 5-methylbenzoic Acid

    22. 5-methyl 2-aminobenzoic Acid

    23. Schembl221528

    24. 2 Amino-5-methyl Benzoic Acid

    25. Dtxsid40183629

    26. Zinc152954

    27. Act07704

    28. Albb-006381

    29. Bcp24480

    30. Nsc39154

    31. Nsc50786

    32. Nsc 39154

    33. Nsc 50786

    34. Stk500243

    35. 2-amino-5-methylbenzoic Acid, 99%

    36. Akos000275369

    37. Ac-2790

    38. Cs-w002036

    39. Ps-4160

    40. Sb75721

    41. Bp-12775

    42. Sy002917

    43. Db-031100

    44. Am20050530

    45. Ft-0602780

    46. En300-30694

    47. 41a788

    48. Q-103156

    49. Q27258423

    50. F1943-0103

    51. Z111833788

    52. 5m0

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 151.16 g/mol
    Molecular Formula C8H9NO2
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass151.063328530 g/mol
    Monoisotopic Mass151.063328530 g/mol
    Topological Polar Surface Area63.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity158
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1