CAS 18621-17-5

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Also known as: 18621-17-5, 1-benzhydrylazetan-3-ol, 1-(diphenylmethyl)-3-hydroxyazetidine, 1-(diphenylmethyl)azetidin-3-ol, 1-benzhydryl-azetidin-3-ol, 1-benzhydryl-3-hydroxyazetidine

Molecular Formula

C₁₆H₁₇NO

Molecular Weight

239.31 g/mol

InChI Key

MMAJXKGUZYDTHV-UHFFFAOYSA-N

1 2D Structure

CAS 18621-17-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzhydrylazetidin-3-ol

2.1.2 InChI

InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2

2.1.3 InChI Key

MMAJXKGUZYDTHV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 18621-17-5

2. 1-benzhydrylazetan-3-ol

3. 1-(diphenylmethyl)-3-hydroxyazetidine

4. 1-(diphenylmethyl)azetidin-3-ol

5. 1-benzhydryl-azetidin-3-ol

6. 1-benzhydryl-3-hydroxyazetidine

7. 1-benzhydryl-3-azetidinol

8. 40432-51-7

9. 1-diphenylmethyl-3-hydroxyazetidine

10. N-benzhydrylazetidin-3-ol

11. 1-(diphenylmethyl)-3-azetidinol

12. 1-diphenylmethylazetidin-3-ol

13. Chembl3763552

14. Mfcd00205109

15. 300683-73-2

16. 3-azetidinol, 1-(diphenylmethyl)-

17. N-(diphenylmethyl)azetidin-3-ol

18. Uxg

19. Nsc319045

20. 1-benzhydryl-3-azetanol

21. Maybridge1_002189

22. Maybridge3_003982

23. 1-benzhvdrvl-3-azetidinol

24. Diphenylmethylazetidin-3-ol

25. 1-benzhydrylazetidine-3-ol

26. Cambridge Id 5100468

27. N-benzhydryl-azetidin-3-ol

28. 1-benzhydryl Azetidine-3-ol

29. Oprea1_406945

30. Schembl48800

31. Cbdive_000245

32. Cbdive_013047

33. N-diphenylmethylazetidin-3-ol

34. 1-benzhydryl-3-azetidinol #

35. 1-diphenylmethyl-3-azetidinol

36. N-diphenylmethyl Azetidin-3-ol

37. Ambz0202

38. F2147-0186

39. Dtxsid20940050

40. Hms1442e22

41. Zinc133425

42. Act05267

43. Albb-010097

44. Bcp26302

45. Bcp27340

46. Cs-d0677

47. Str06841

48. Bbl010042

49. Bdbm50145679

50. Ccg-49951

51. Stk500368

52. N-(diphenylmethyl)-3-hydroxyazetidine

53. Akos000278183

54. Ac-2257

55. Nsc-319045

56. Pb12132

57. Sb10071

58. Wt81635

59. Azetidine, 1-diphenylmethyl-3-hydroxy-

60. Idi1_015369

61. Bp-11495

62. Sy002560

63. Db-012974

64. Db-013255

65. Am20030224

66. Bb 0240977

67. D3907

68. Ft-0607364

69. Ft-0648181

70. Ft-0689451

71. 1-(diphenylmethyl)-3-hydroxyazetinide

72. 621d175

73. A825102

74. 1-benzhydrylazetidin-3-ol;n-benzhydrylazetidin-3-ol

75. J-011948

76. Q-200106

77. Sr-01000639368-1

78. Brd-k80272551-001-01-4

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₇NO
Molecular Weight	239.31 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	239.131014166 g/mol
Monoisotopic Mass	239.131014166 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	232
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