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    Technical details about CAS 18595-12-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 18595-12-5

    Manufacturers/Suppliers

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    Centrient is a leading manufacturer of Beta-Lactam Antibiotics and a provider of next-generation Statins and Antifungals.

    IKF/Pharmasynthese have been with fine chemicals market and APIs performance for more than 40 years.

    2D Structure
    1. Also known as: 18595-12-5, 5-amino-2-methyl-benzoic acid methyl ester, 5-amino-2-methylbenzoic acid methyl ester, Methyl5-amino-2-methylbenzoate, Benzoic acid, 5-amino-2-methyl-, methyl ester, Mfcd08752568
    Molecular Formula
    C9H11NO2
    Molecular Weight
    165.19  g/mol
    InChI Key
    JNPZKGOLYSCSEL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 5-amino-2-methylbenzoate
    2.1.2 InChI
    InChI=1S/C9H11NO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,10H2,1-2H3
    2.1.3 InChI Key
    JNPZKGOLYSCSEL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)N)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 18595-12-5

    2. 5-amino-2-methyl-benzoic Acid Methyl Ester

    3. 5-amino-2-methylbenzoic Acid Methyl Ester

    4. Methyl5-amino-2-methylbenzoate

    5. Benzoic Acid, 5-amino-2-methyl-, Methyl Ester

    6. Mfcd08752568

    7. 5-amino-2-methyl Benzoic Acid Methyl Ester

    8. Methyl 5-amino-o-toluate

    9. Benzoic Acid,5-amino-2-methyl-, Methyl Ester

    10. Schembl1321845

    11. Methyl 2-methyl-5-aminobenzoate

    12. Methyl 3-amino-6-methylbenzoate

    13. Dtxsid30567555

    14. 3-amino-6-methyl Benzoate

    15. Amy36355

    16. Bcp24565

    17. 5-amino-o-toluic Acid Methyl Ester

    18. Zinc21299179

    19. Akos005259440

    20. Ac-5047

    21. Cs-w003565

    22. Sb34629

    23. As-12564

    24. Sy021381

    25. 2-methyl-5-aminobenzoic Acid Methyl Ester

    26. Ft-0647669

    27. M2540

    28. W-201669

    29. Z1318516265

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 165.19 g/mol
    Molecular Formula C9H11NO2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass165.078978594 g/mol
    Monoisotopic Mass165.078978594 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity170
    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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