CAS 90-41-5

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Also known as: 90-41-5, 2-biphenylamine, 2-aminodiphenyl, 2-phenylaniline, [1,1'-biphenyl]-2-amine, O-aminobiphenyl

Molecular Formula

C₁₂H₁₁N

Molecular Weight

169.22 g/mol

InChI Key

TWBPWBPGNQWFSJ-UHFFFAOYSA-N

FDA UNII

8LQM58EBRY

1 2D Structure

CAS 90-41-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-phenylaniline

2.1.2 InChI

InChI=1S/C12H11N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,13H2

2.1.3 InChI Key

TWBPWBPGNQWFSJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC=CC=C2N

2.2 Other Identifiers

2.2.1 UNII

8LQM58EBRY

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-aminodiphenyl

2. O-aminobiphenyl

3. Ortho-aminodiphenyl

2.3.2 Depositor-Supplied Synonyms

1. 90-41-5

2. 2-biphenylamine

3. 2-aminodiphenyl

4. 2-phenylaniline

5. [1,1'-biphenyl]-2-amine

6. O-aminobiphenyl

7. O-biphenylamine

8. Biphenyl-2-ylamine

9. O-phenylaniline

10. O-aminodiphenyl

11. Biphenyl-2-amine

12. 2-aminobifenyl

13. (1,1'-biphenyl)-2-amine

14. 2-phenylbenzenamine

15. Aminobiphenyl

16. 2-amino-1,1'-biphenyl

17. Nsc 7661

18. 8lqm58ebry

19. Dtxsid3030189

20. Nsc-7661

21. 2-biphenylylamine

22. 2-aminobifenyl [czech]

23. Ccris 753

24. Nci-c50282

25. Hsdb 1324

26. Einecs 201-990-9

27. Unii-8lqm58ebry

28. Brn 0471874

29. Biphenyl Amine

30. O-xenylamine

31. Ai3-00067

32. 2-amino Biphenyl

33. 2-amino-biphenyl

34. 2- Aminodiphenyl

35. Mfcd00007701

36. 1,1'-biphenylamine

37. 2-aminobiphenyl, 97%

38. Wln: Zr Br

39. 1,1'-biphenyl-2-ylamine

40. Dsstox_cid_10189

41. Dsstox_rid_78839

42. Dsstox_gsid_30189

43. Schembl25981

44. 4-12-00-03223 (beilstein Handbook Reference)

45. Chembl296021

46. 2-biphenylamine [hsdb]

47. Nci-c50282 (salt/mix)

48. Amy5191

49. Nsc7661

50. Zinc967337

51. Act02919

52. Bcp16608

53. Cs-d1434

54. Str00574

55. Tox21_200959

56. Cx1301

57. Stk345998

58. Akos000107947

59. Cas-90-41-5

60. Ncgc00091135-01

61. Ncgc00091135-02

62. Ncgc00091135-03

63. Ncgc00091135-04

64. Ncgc00258512-01

65. Ac-19052

66. Bp-12718

67. Db-057202

68. B0467

69. Bb 0244769

70. Ft-0611235

71. 2-amino-1,1 Inverted Exclamation Mark -biphenyl

72. Ab00375775-03

73. A843537

74. Ac-907/25014307

75. Q209308

76. Q-200236

77. F2190-0452

78. [1,3]benzoxazolo[2,3-b]quinazolin-12-one;2-aminobiphenyl

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁N
Molecular Weight	169.22 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.089149355 g/mol
Monoisotopic Mass	169.089149355 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1