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DSSTox_CID_29374
Also known as: 494-19-9, 10,11-dihydro-5h-dibenzo[b,f]azepine, 10,11-dihydro-5h-dibenz[b,f]azepine, Iminobibenzyl, 2,2'-iminodibenzyl, Iminodibenyl
Molecular Formula
C14H13N
Molecular Weight
195.26  g/mol
InChI Key
ZSMRRZONCYIFNB-UHFFFAOYSA-N
FDA UNII
262BX7OE3U

1 2D Structure

DSSTox_CID_29374

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,11-dihydro-5H-benzo[b][1]benzazepine
2.1.2 InChI
InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
2.1.3 InChI Key
ZSMRRZONCYIFNB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=CC=CC=C2NC3=CC=CC=C31
2.2 Other Identifiers
2.2.1 UNII
262BX7OE3U
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dibenzylamine

2. Dibenzylamine Acetate

3. Dibenzylamine Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 494-19-9

2. 10,11-dihydro-5h-dibenzo[b,f]azepine

3. 10,11-dihydro-5h-dibenz[b,f]azepine

4. Iminobibenzyl

5. 2,2'-iminodibenzyl

6. Iminodibenyl

7. 2,2'-iminobibenzyl

8. 5h-dibenz[b,f]azepine, 10,11-dihydro-

9. 6,11-dihydro-5h-benzo[b][1]benzazepine

10. Rp 23669

11. 10,11-dihydrodibenz(b,f)azepine

12. Mfcd00005070

13. Nsc 72110

14. 10,11-dihydro-5-dibenz(b,f)azepine

15. 5h-dibenz(b,f)azepine, 10,11-dihydro-

16. 10,11-dihydro-5h-dibenz(b,f)azepine

17. Chembl63054

18. 262bx7oe3u

19. Clomipramine Hcl Ep Impurity E

20. 10,11-dihydrodibenz[b,f]azepine

21. Nsc-72110

22. Dsstox_cid_29374

23. Dsstox_rid_83489

24. Dsstox_gsid_49414

25. 10,11-dihydro-5h-dibenzo[b,f]azepine (iminodibenzyl)

26. Cas-494-19-9

27. 10,11-dihydro-5h-dibenzo(b,f)azepine

28. Einecs 207-787-1

29. Brn 0152732

30. Unii-262bx7oe3u

31. Iminodibenzyyl

32. Ai3-39165

33. 10,f]azepine

34. Carbamazepine Impurity E

35. Ec 207-787-1

36. Oprea1_136738

37. 5-20-08-00092 (beilstein Handbook Reference)

38. Schembl407439

39. Dtxsid8049414

40. Wln: T C676 Bm&t&j

41. 5h-dibenz[b, 10,11-dihydro-

42. Nsc72110

43. Str02159

44. Zinc1470731

45. Tox21_113758

46. Tox21_202836

47. Bbl011749

48. Bdbm50012879

49. Stk299261

50. Carbamazepine Impurity E [ip]

51. 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene

52. 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene

53. Akos000119140

54. Ac-7238

55. Gf-0137

56. Ncgc00253630-01

57. Ncgc00260382-01

58. 10,11-dihydro-5h-dibenz [b,f]azepine

59. Sy005302

60. 10,11-dihydro-5h-dibenzo[b,f]azepine #

61. 5h-dibenzo[b,f]azepine, 10,11-dihydro-

62. Cs-0020288

63. D0269

64. Carbamazepine Impurity E [ep Impurity]

65. 10,11-dihydro-5h-dibenz(b.f)azepine

66. 10,11-dihydro-5h-dibenz[b,f]azepine, 97%

67. A827711

68. Sr-01000395830

69. J-650002

70. Q-201235

71. Q1096623

72. Sr-01000395830-1

73. Trimipramine Maleate Impurity F [ep Impurity]

74. Iminodibenzyl (10,11-dihydro-5h-dibenzo[b,f]azepine)

75. Z256709566

76. Clomipramine Hydrochloride Impurity E [ep Impurity]

77. Iminodibenzyl, United States Pharmacopeia (usp) Reference Standard

78. Trimipramine Maleate Impurity, Iminodibenzyl-[usp Impurity]

79. Iminodibenzyl, Pharmaceutical Secondary Standard; Certified Reference Material

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 195.26 g/mol
Molecular Formula C14H13N
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass195.104799419 g/mol
Monoisotopic Mass195.104799419 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
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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