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    CAS 10272-07-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 10272-07-8, Benzenamine, 3,5-dimethoxy-, 3,5-dimethoxybenzeneamine, 5-aminoresorcinol dimethyl ether, 3,5-dimethoxy-phenylamine, 3,5-dimethoxybenzenamine
    Molecular Formula
    C8H11NO2
    Molecular Weight
    153.18  g/mol
    InChI Key
    WNRGWPVJGDABME-UHFFFAOYSA-N
    FDA UNII
    JS9DUH84WG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3,5-dimethoxyaniline
    2.1.2 InChI
    InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3
    2.1.3 InChI Key
    WNRGWPVJGDABME-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=CC(=C1)N)OC
    2.2 Other Identifiers
    2.2.1 UNII
    JS9DUH84WG
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 10272-07-8

    2. Benzenamine, 3,5-dimethoxy-

    3. 3,5-dimethoxybenzeneamine

    4. 5-aminoresorcinol Dimethyl Ether

    5. 3,5-dimethoxy-phenylamine

    6. 3,5-dimethoxybenzenamine

    7. 5-aminoresorcinol Dimethylether

    8. Mfcd00008392

    9. Js9duh84wg

    10. 3,5-dimethoxyanaline

    11. 3,5-dimethoxy Aniline

    12. Einecs 233-616-5

    13. 3,5-dimethoxylaniline

    14. 3,5-dimethoxy Analine

    15. 3,5-dimethoxy-aniline

    16. 3,5 Dimethoxy-aniline

    17. 3.5-dimethoxybenzenamine

    18. Unii-js9duh84wg

    19. 3,5-dimethoxy-benzenamine

    20. 3,5-dimethoxyaniline, 98%

    21. Schembl116606

    22. Dtxsid0065018

    23. Chebi:172328

    24. Zinc164493

    25. Act00133

    26. Cs-b0774

    27. Stl168344

    28. Akos000119595

    29. Ac-2497

    30. As-12377

    31. Sy001674

    32. Db-014224

    33. Am20020107

    34. D1484

    35. Ft-0620026

    36. A19805

    37. 272d078

    38. W-108865

    39. F5608-0063

    40. Z1245635764

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 153.18 g/mol
    Molecular Formula C8H11NO2
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass153.078978594 g/mol
    Monoisotopic Mass153.078978594 g/mol
    Topological Polar Surface Area44.5 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity107
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1