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    Technical details about 2,3,3-Trimethylbenzoindolenine, learn more about the structure, uses, toxicity, action, side effects and more

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    2,3,3-Trimethylbenzoindolenine

    PharmaCompass

    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: 41532-84-7, 1,1,2-trimethylbenz[e]indole, 1,1,2-trimethyl-1h-benz[e]indole, 2,3,3-trimethylbenzoindolenine, 2,3,3-trimethyl-4,5-benzo-3h-indole, 1,1,2-trimethylbenzo[e]indole
    Molecular Formula
    C15H15N
    Molecular Weight
    209.29  g/mol
    InChI Key
    WJZSZXCWMATYFX-UHFFFAOYSA-N
    FDA UNII
    F56431T911
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,2-trimethylbenzo[e]indole
    2.1.2 InChI
    InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3
    2.1.3 InChI Key
    WJZSZXCWMATYFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=C(C1(C)C)C3=CC=CC=C3C=C2
    2.2 Other Identifiers
    2.2.1 UNII
    F56431T911
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 41532-84-7

    2. 1,1,2-trimethylbenz[e]indole

    3. 1,1,2-trimethyl-1h-benz[e]indole

    4. 2,3,3-trimethylbenzoindolenine

    5. 2,3,3-trimethyl-4,5-benzo-3h-indole

    6. 1,1,2-trimethylbenzo[e]indole

    7. 1h-benz[e]indole, 1,1,2-trimethyl-

    8. 1,1,2-trimethyl-1h-benz(e)indole

    9. Mfcd00082627

    10. 1h-benz(e)indole, 1,1,2-trimethyl-

    11. 2,3,3-trimethyl-1h-benz[e]indolenine

    12. F56431t911

    13. 1,1,2-trimethyl-1h-benzo(e)indole

    14. 1,1,2-trimethylbenz(e)indole

    15. Unii-f56431t911

    16. 2,3,3-trimethylbenzo[e]indolenine

    17. Einecs 255-429-8

    18. 1,1,2-trimehtyl-1h-benz[e]indole

    19. 1,1-2-trimethyl-1h-benz(e)indole

    20. Dsstox_cid_24668

    21. Dsstox_rid_80387

    22. Dsstox_gsid_44668

    23. Schembl31583

    24. Mls001018037

    25. Ambz0240

    26. Chembl1405775

    27. Dtxsid4044668

    28. Hms2663b13

    29. Act03540

    30. Zinc1042104

    31. Tox21_301959

    32. Ccg-53010

    33. 1,1,2-trimethyl[1h]-benz[e]indole

    34. Akos000270783

    35. Akos025243391

    36. Am85760

    37. Cs-w015153

    38. Ps-8025

    39. 1,1,2-trimethyl-[1h]-benz[e]indole

    40. 2,3,3-trimethylnaphto[1,2-d]pyrrole

    41. 1,1,2-trimethylnaphtho[1,2-d]pyrrole

    42. Ncgc00245998-01

    43. Ncgc00256303-01

    44. Ac-27784

    45. Smr000354277

    46. Sy018592

    47. 2,3,3-trimethyl-3h-benz(e)indole

    48. Cas-41532-84-7

    49. Eu-0010594

    50. Ft-0601282

    51. T1714

    52. H11740

    53. T-6620

    54. 532t847

    55. A825585

    56. Sr-01000389684

    57. 1,1,2-trimethylbenz[e]indole, >=98.0% (hplc)

    58. Q-102567

    59. Sr-01000389684-1

    60. Sr-01000389684-2

    61. Brd-k67859649-001-07-6

    62. Q27277660

    63. F0347-1365

    2.4 Create Date
    2005-07-10
    3 Chemical and Physical Properties
    Molecular Weight 209.29 g/mol
    Molecular Formula C15H15N
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass209.120449483 g/mol
    Monoisotopic Mass209.120449483 g/mol
    Topological Polar Surface Area12.4 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity315
    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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