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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

CAS 86-29-3
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

BUILDING BLOCK

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