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    CAS 66315-15-9 manufacturers and suppliers on PharmaCompass

    Client Email Product

    4CH-017062

    Manufacturers/Suppliers

    PharmaCompass
    4CH-017062
    Also known as: 66315-15-9, 3-amino-4-methylaminobenzoic acid, 3-amino-4-methylamino-benzoic acid, Schembl1067119, Dtxsid40467951, 3-amino-4-(methylamino)benzoicacid
    Molecular Formula
    C8H10N2O2
    Molecular Weight
    166.18  g/mol
    InChI Key
    QZZIBMYRWBVKLM-UHFFFAOYSA-N
    1 2D Structure

    4CH-017062

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-amino-4-(methylamino)benzoic acid
    2.1.2 InChI
    InChI=1S/C8H10N2O2/c1-10-7-3-2-5(8(11)12)4-6(7)9/h2-4,10H,9H2,1H3,(H,11,12)
    2.1.3 InChI Key
    QZZIBMYRWBVKLM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC1=C(C=C(C=C1)C(=O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 66315-15-9

    2. 3-amino-4-methylaminobenzoic Acid

    3. 3-amino-4-methylamino-benzoic Acid

    4. Schembl1067119

    5. Dtxsid40467951

    6. 3-amino-4-(methylamino)benzoicacid

    7. Mfcd06208249

    8. Zinc21993990

    9. 3-amino-4-(methylamino) Benzoic Acid

    10. Akos010216217

    11. Benzoicacid,3-amino-4-(methylamino)-

    12. Cs-w006930

    13. Ds-12822

    14. Ft-0646452

    15. C76085

    16. A835417

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 166.18 g/mol
    Molecular Formula C8H10N2O2
    XLogP30.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass166.074227566 g/mol
    Monoisotopic Mass166.074227566 g/mol
    Topological Polar Surface Area75.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity172
    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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