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Overview of CAS 22990-19-8

Client Email Product
4CH-017489
PharmaCompass
4CH-017489
Also known as: 22990-19-8, 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-tetrahydro-1-phenylisoquinoline, Bas 01118689, Chembl21465, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-
Molecular Formula
C15H15N
Molecular Weight
209.292  g/mol
InChI Key
PRTRSEDVLBBFJZ-UHFFFAOYSA-N

1 2D Structure

4CH-017489

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-phenyl-1,2,3,4-tetrahydroisoquinoline
2.1.2 InChI
InChI=1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2
2.1.3 InChI Key
PRTRSEDVLBBFJZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22990-19-8

2. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

3. 1,2,3,4-tetrahydro-1-phenylisoquinoline

4. Bas 01118689

5. Chembl21465

6. Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-

7. Prtrsedvlbbfjz-uhfffaoysa-n

8. Sbb044016

9. Rac-1-phenyl-1,2,3,4-tetrahydroisoquinoline

10. Phenyl-tiq

11. Nsc338399

12. Pubchem13159

13. 1-phenyl-1,2,3,4-tetrahydroisochinolin

14. Ac1q1hng

15. Acmc-209a0l

16. Ac1q1h7k

17. Schembl327233

18. Ac1l2o51

19. Jsp004636

20. Schembl12046710

21. Ks-00000dka

22. Molport-000-163-402

23. Cs-b0307

24. Ac-685

25. An-665

26. Bdbm50017035

27. Cp-352

28. Mfcd02179241

29. Stl253537

30. Akos000272849

31. Akos016040456

32. Ebd2218069

33. Ls40561

34. Mcule-7942000917

35. Nsc-338399

36. Tra0034388

37. Ncgc00245237-01

38. Ak-23557

39. An-15605

40. As-15682

41. Bc219848

42. Br-23557

43. He013495

44. He087021

45. Kb-13076

46. Q248

47. Sc-24932

48. Sy030993

49. Ab0017475

50. Db-008991

51. Tl8001918

52. Tr-010744

53. 4ch-008343

54. 4ch-013231

55. 4ch-017489

56. A4871

57. Ft-0638277

58. P2056

59. St24027152

60. St45175020

61. Z3518

62. 1-phenyl-1, 2, 3, 4-tetrahydroisoquinoline

63. En300-72483

64. A18116

65. S-3637

66. 990p198

67. A816462

68. Racemic 1-phenyl-1,2,3,4-tetrahydro-isoquinoline

69. I01-3061

70. Q-101004

71. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, Aldrichcpr

72. 3b1-000631

73. 3b1-002388

74. Z1741966190

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 209.292 g/mol
Molecular Formula C15H15N
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.12 g/mol
Monoisotopic Mass209.12 g/mol
Topological Polar Surface Area12 A^2
Heavy Atom Count16
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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