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    Technical details about CAS 2486-75-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 2486-75-1

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    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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    2D Structure
    1. Also known as: 2486-75-1, 4-amino-2-methyl-benzoic acid, Benzoic acid, 4-amino-2-methyl-, 2-methyl-4-aminobenzoic acid, 2-methyl-4-amino-benzoic acid, 4-amino-2-methyl benzoic acid
    Molecular Formula
    C8H9NO2
    Molecular Weight
    151.16  g/mol
    InChI Key
    XRSQZFJLEPBPOZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 2486-75-1

    2. 4-amino-2-methyl-benzoic Acid

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

    4. 2-methyl-4-aminobenzoic Acid

    5. 2-methyl-4-amino-benzoic Acid

    6. 4-amino-2-methyl Benzoic Acid

    7. Mfcd06656133

    8. 4-amino-o-toluic Acid

    9. Nsc49299

    10. Methyl-p-aminobenzoesaure

    11. Methyl-4-amino Benzoic Acid

    12. Schembl99201

    13. Chembl3278339

    14. Dtxsid80287155

    15. Act07361

    16. Bcp24561

    17. Zinc1681308

    18. Bbl100078

    19. Nsc 49299

    20. Nsc-49299

    21. Stl220794

    22. 4-amino-2-methylbenzoic Acid, 95%

    23. Akos005145866

    24. Ac-2912

    25. Cs-w003296

    26. Sb36168

    27. Sy003329

    28. Ts-01987

    29. Db-011266

    30. Am20060573

    31. Ft-0647670

    32. En300-58860

    33. 486a751

    34. Ae-562/43286946

    35. J-514337

    36. Z1255523289

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 151.16 g/mol
    Molecular Formula C8H9NO2
    XLogP31.1
    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
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