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    Technical details about CAS 93-17-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 93-17-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 93-17-4, (3,4-dimethoxyphenyl)acetonitrile, Homoveratronitrile, 3,4-dimethoxybenzyl cyanide, 2-(3,4-dimethoxyphenyl)acetonitrile, Veratryl cyanide
    Molecular Formula
    C10H11NO2
    Molecular Weight
    177.20  g/mol
    InChI Key
    ASLSUMISAQDOOB-UHFFFAOYSA-N
    FDA UNII
    62C8S706SP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4-dimethoxyphenyl)acetonitrile
    2.1.2 InChI
    InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3
    2.1.3 InChI Key
    ASLSUMISAQDOOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)CC#N)OC
    2.2 Other Identifiers
    2.2.1 UNII
    62C8S706SP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 93-17-4

    2. (3,4-dimethoxyphenyl)acetonitrile

    3. Homoveratronitrile

    4. 3,4-dimethoxybenzyl Cyanide

    5. 2-(3,4-dimethoxyphenyl)acetonitrile

    6. Veratryl Cyanide

    7. 3,4-dimethoxybenzeneacetonitrile

    8. Benzeneacetonitrile, 3,4-dimethoxy-

    9. Nsc 6324

    10. Mfcd00001911

    11. Acetonitrile, (3,4-dimethoxyphenyl)-

    12. 3,4-dimethoxyphenyl Acetonitrile

    13. 3,4-dimethoxy Phenylacetonitrile

    14. 62c8s706sp

    15. Nsc-6324

    16. 2-(3,4-dimethoxyphenyl)-acetonitrile

    17. Einecs 202-225-1

    18. Acetonitrile, 3,4-(dimethoxyphenyl)-

    19. Brn 1956100

    20. Unii-62c8s706sp

    21. Ai3-23882

    22. Acetonitrile, 3,4-dimethoxyphenyl-

    23. 2-(3,4-dimethoxyphenyl)ethanenitrile

    24. Ec 202-225-1

    25. Oprea1_832287

    26. Schembl77974

    27. 3,4-dimethoxy-benzyl Cyanide

    28. 4-10-00-01513 (beilstein Handbook Reference)

    29. Wln: Nc1r Co1 Do1

    30. 3,4-dimethoxyphenylacetonitirle

    31. 3.4-dimethoxyphenylacetonitrile

    32. Iflab1_000888

    33. 3,4-dimethyoxyphenylacetonitrile

    34. Benzeneacetonitrile,4-dimethoxy-

    35. 3,4-di Methoxyphenylacetonitrile

    36. 3,4-dimethoxyphenyl-acetonitrile

    37. Acetonitrile,4-dimethoxyphenyl)-

    38. Aslsumisaqdoob-uhfffaoysa-

    39. (3,4-dimethoxyphenyl)acetonirile

    40. Dtxsid30239220

    41. Nsc6324

    42. 3,4-dimethoxy-phenyl-acetonitrile

    43. 3,4-(dimethoxyphenyl)acetonitrile

    44. 3,4-dimethoxy Phenyl Acetonitrile

    45. Acetonitrile,4-(dimethoxyphenyl)-

    46. Hms1414i08

    47. Zinc155251

    48. (3,4-dimethoxyphenyl)-acetonitrile

    49. Albb-010707

    50. (3,4-dimethoxy-phenyl)-acetonitrile

    51. Bbl036932

    52. Stl195409

    53. 2-(3,4-dimethoxyphenyl) Acetonitrile

    54. Akos000199051

    55. Gs-3047

    56. [3,4-bis(methyloxy)phenyl]acetonitrile

    57. (3,4-dimethoxyphenyl)acetonitrile, 98%

    58. Sy012004

    59. 3,4-methyleneoxyphenyl Acetonitrile

    60. Am20050420

    61. Bb 0240981

    62. Cs-0008419

    63. D1887

    64. Ft-0614353

    65. Homoveratronitrile, Purum, >=98.0% (gc)

    66. W-100249

    67. (3,4-dimethoxyphenyl)acetonitrile(homoveratronitrile)

    68. Q27263471

    69. F0255-0021

    70. Z1262254379

    71. 2-(2-chloro-acetylamino)-4-(3,4-dimethoxy-phenyl)-thiophene-3-carboxylicacidethylester

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 177.20 g/mol
    Molecular Formula C10H11NO2
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass177.078978594 g/mol
    Monoisotopic Mass177.078978594 g/mol
    Topological Polar Surface Area42.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity196
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1