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    CAS 86-29-3
    Also known as: 86-29-3, 2,2-diphenylacetonitrile, Dipan, Diphenatrile, Benzhydrylcyanide, Benzhydryl cyanide
    Molecular Formula
    C14H11N
    Molecular Weight
    193.24  g/mol
    InChI Key
    NEBPTMCRLHKPOB-UHFFFAOYSA-N
    FDA UNII
    QK4W106TKU
    1 2D Structure

    CAS 86-29-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-diphenylacetonitrile
    2.1.2 InChI
    InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
    2.1.3 InChI Key
    NEBPTMCRLHKPOB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    QK4W106TKU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 86-29-3

    2. 2,2-diphenylacetonitrile

    3. Dipan

    4. Diphenatrile

    5. Benzhydrylcyanide

    6. Benzhydryl Cyanide

    7. Diphenylmethylcyanide

    8. Benzyhydrylcyanide

    9. Diphenylmethyl Cyanide

    10. Difenylacetonitril

    11. Acetonitrile, Diphenyl-

    12. Diphenyl-alpha-cyanomethane

    13. Benzeneacetonitrile, Alpha-phenyl-

    14. Usaf Kf-13

    15. Alpha-phenylphenylacetonitrile

    16. Alpha-phenylbenzeneacetonitrile

    17. Benzeneacetonitrile, .alpha.-phenyl-

    18. Diphenyl-.alpha.-cyanomethane

    19. Diphenyl Acetonitrile

    20. Nsc 130268

    21. .alpha.-phenylphenylacetonitrile

    22. Mfcd00001862

    23. .alpha.-phenylbenzylcyanide

    24. Qk4w106tku

    25. Nsc-884

    26. Nsc-130268

    27. Dsstox_cid_539

    28. Wln: Ncyr&r

    29. Dsstox_rid_75648

    30. Dsstox_gsid_20539

    31. Caswell No. 396

    32. Alpha-phenylbenzylcyanide

    33. Alpha-cyanodiphenylmethane

    34. Difenylacetonitril [czech]

    35. Cas-86-29-3

    36. Einecs 201-662-5

    37. Unii-qk4w106tku

    38. Epa Pesticide Chemical Code 037901

    39. Brn 1911160

    40. Ai3-17436

    41. Diphenylacetonitril

    42. Diphenyl-acetonitrile

    43. Alpha-phenylbenzyl Cyanide

    44. 2,2-diphenyl-acetonitrile

    45. Diphenylacetonitrile, 98%

    46. Diphenylacetonitrile-[d10]

    47. .alpha.-cyanodiphenylmethane

    48. Timtec1_003810

    49. Ph~2~c(h)cn

    50. Schembl181005

    51. Nsc884

    52. Chembl3185477

    53. Dtxsid4020539

    54. .alpha.-phenyl-benzeneacetonitrile

    55. Hms1544n04

    56. Zinc3860898

    57. .alpha.-phenylbenzyl Cyanide

    58. Tox21_201556

    59. Tox21_302854

    60. Nsc130268

    61. Stk700770

    62. Akos000120009

    63. Am90235

    64. Cs-w015768

    65. Diphenylacetic Acid Nitrile [mi]

    66. Ncgc00249068-01

    67. Ncgc00256362-01

    68. Ncgc00259105-01

    69. Ac-25261

    70. As-12052

    71. Bp-12820

    72. Diphenylacetonitrile [ep Impurity]

    73. Sy008506

    74. D0261

    75. Ft-0625250

    76. Ft-0667650

    77. D70408

    78. A-phenylbenzyl Cyanide, A-phenylphenylacetonitrile

    79. A841600

    80. Ae-641/03255011

    81. Sr-01000393862

    82. Q-201006

    83. Sr-01000393862-1

    84. Brd-k12971880-001-01-6

    85. Q27287309

    86. Methadone Hydrochloride Impurity E [ep Impurity]

    87. Levomethadone Hydrochloride Impurity E [ep Impurity]

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 193.24 g/mol
    Molecular Formula C14H11N
    XLogP33.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass193.089149355 g/mol
    Monoisotopic Mass193.089149355 g/mol
    Topological Polar Surface Area23.8 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity207
    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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