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CAS 22990-19-8 manufacturers and suppliers on PharmaCompass

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4CH-017489
Also known as: 22990-19-8, 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-tetrahydro-1-phenylisoquinoline, Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, Bas 01118689, Chembl21465
Molecular Formula
C15H15N
Molecular Weight
209.29  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 MeSH Synonyms

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

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

3. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+)-isomer

4. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (+-)-isomer

5. 1,2,3,4-tetrahydro-1-phenylisoquinoline Hydrochloride, (-)-isomer

6. Phenyl-tiq

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

5. Bas 01118689

6. Chembl21465

7. Mfcd02179241

8. (s)-1,2,3,4-tetrahydro-1-phenylisoquinoline

9. Phenyl-tiq

10. Mfcd08692036

11. Nsc338399

12. Schembl327233

13. Schembl12046710

14. Amy40172

15. Bcp12873

16. Bcp14564

17. Cs-b0307

18. Ac-685

19. Bdbm50017035

20. Stl253537

21. Akos000272849

22. Akos016040456

23. Nsc 338399

24. Nsc-338399

25. Sb31601

26. Sb34419

27. Sb35629

28. Ncgc00245237-01

29. As-15682

30. Sy025337

31. Sy030993

32. Db-008991

33. A4871

34. Ft-0603857

35. Ft-0638277

36. Ft-0689458

37. P2056

38. En300-72483

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

40. A18116

41. 990p198

42. A816462

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

44. Q-101004

45. 1-phenyl-1,2,3,4-tetrahydro-isoquinoline, Aldrichcpr

46. Z1741966190

47. 1-phenyl-1,2,3,4-tetrahydroisoquinoline;1-phenyl-1,2,3,4-tetrahydro-isoquinoline

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 209.29 g/mol
Molecular Formula C15H15N
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass209.120449483 g/mol
Monoisotopic Mass209.120449483 g/mol
Topological Polar Surface Area12 Ų
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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