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    Technical details about CAS 603-76-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 603-76-9

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1-methyl-1h-indole, 603-76-9, N-methylindole, 1h-indole, 1-methyl-, Indole, 1-methyl-, 1-methylindol
    Molecular Formula
    C9H9N
    Molecular Weight
    131.17  g/mol
    InChI Key
    BLRHMMGNCXNXJL-UHFFFAOYSA-N
    FDA UNII
    8H698ROJ5F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methylindole
    2.1.2 InChI
    InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
    2.1.3 InChI Key
    BLRHMMGNCXNXJL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=CC2=CC=CC=C21
    2.2 Other Identifiers
    2.2.1 UNII
    8H698ROJ5F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methylindole Monopicrate

    2.3.2 Depositor-Supplied Synonyms

    1. 1-methyl-1h-indole

    2. 603-76-9

    3. N-methylindole

    4. 1h-indole, 1-methyl-

    5. Indole, 1-methyl-

    6. 1-methylindol

    7. N-methyl Indole

    8. Nsc 212534

    9. Chembl19912

    10. 8h698roj5f

    11. Nsc-212534

    12. 1-methylindole (n-)

    13. Unii-8h698roj5f

    14. N-methylindol

    15. 1-methyl Indole

    16. 1-methyl-indole

    17. N- Methyl Indole

    18. Einecs 210-057-5

    19. Mfcd00005800

    20. 1-methylindole, >=97%

    21. Schembl29812

    22. Dtxsid3060534

    23. Amy2876

    24. Act06917

    25. Bcp26400

    26. Zinc1750961

    27. Bbl100303

    28. Bdbm50098763

    29. Mfcd31699943

    30. Mfcd31699944

    31. Mfcd31699945

    32. Mfcd31699946

    33. Mfcd31699947

    34. Nsc212534

    35. Stl553897

    36. Akos005198531

    37. Cs-w008981

    38. Pb48626

    39. Ac-19059

    40. As-11848

    41. Sy246277

    42. Sy246324

    43. Sy246325

    44. Sy246326

    45. Sy246327

    46. Db-011620

    47. Ft-0602384

    48. M0561

    49. A15681

    50. F11257

    51. M-3893

    52. Q4545796

    53. F0001-1582

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 131.17 g/mol
    Molecular Formula C9H9N
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass131.073499291 g/mol
    Monoisotopic Mass131.073499291 g/mol
    Topological Polar Surface Area4.9 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity122
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1