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Also known as: 102089-74-7, (r)-n-(tert-butoxycarbonyl)-2-phenylglycinol, (-)-n-boc-d-alpha-phenylglycinol, N-boc-d-2-phenylglycinol, (r)-tert-butyl (2-hydroxy-1-phenylethyl)carbamate, (r)-2-(tert-butoxycarbonylamino)-2-phenylethanol
Molecular Formula
C13H19NO3
Molecular Weight
237.29  g/mol
InChI Key
IBDIOGYTZBKRGI-NSHDSACASA-N
FDA UNII
G846LR8HDC

CAS 102089-74-7
1 2D Structure

CAS 102089-74-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
2.1.2 InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m0/s1
2.1.3 InChI Key
IBDIOGYTZBKRGI-NSHDSACASA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=CC=C1
2.2 Other Identifiers
2.2.1 UNII
G846LR8HDC
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 102089-74-7

2. (r)-n-(tert-butoxycarbonyl)-2-phenylglycinol

3. (-)-n-boc-d-alpha-phenylglycinol

4. N-boc-d-2-phenylglycinol

5. (r)-tert-butyl (2-hydroxy-1-phenylethyl)carbamate

6. (r)-2-(tert-butoxycarbonylamino)-2-phenylethanol

7. N-boc-d-phenylglycinol

8. N-boc-(r)-phenylglycinol

9. G846lr8hdc

10. Tert-butyl [(1r)-2-hydroxy-1-phenylethyl]carbamate

11. Tert-butyl N-[(1r)-2-hydroxy-1-phenylethyl]carbamate

12. Carbamic Acid, [(1r)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl Ester

13. Carbamic Acid, N-[(1r)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl Ester

14. (r)-(-)-2-(boc-amino)-2-phenylethanol

15. (r)-1,1-dimethylethyl (2-hydroxy-1-phenylethyl)carbamate

16. Boc-d-phg-ol

17. Mfcd00274205

18. Carbamic Acid, (2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester, (r)-

19. N-boc-r-phenylglycinol

20. N-boc- D -2-phenylglycinol

21. Tert-butyl ((1r)-2-hydroxy-1-phenylethyl)carbamate

22. (r)-2-((n-tert-butoxycarbonyl)amino)-2-phenylethanol

23. (r)-2-[(n-tert-butoxycarbonyl)amino]-2-phenylethanol

24. ((r)-2-hydroxy-1-phenyl-ethyl)-carbamic Acid Tert-butyl Ester

25. [(r)-2-hydroxy-1-phenyl-ethyl]-carbamic Acid Tert-butyl Ester

26. Carbamic Acid, ((1r)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester

27. Carbamic Acid, N-((1r)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl Ester

28. Unii-g846lr8hdc

29. N-boc-alpha-d-phenylglycinol

30. Tert-butyl (r)-(2-hydroxy-1-phenylethyl)carbamate

31. Schembl127326

32. Dtxsid00426847

33. Act03114

34. Zinc2564779

35. (r)-2-(boc-amino)-2-phenylethanol

36. (-)-n-boc-d- Alpha -phenylglycinol

37. Akos016842291

38. Ac-5649

39. Am90171

40. Cs-w012848

41. (r)-n-boc-2-hydroxy-1-phenylethylamine

42. Ds-11901

43. (-)-n-boc-d-alpha-phenylglycinol, 99%

44. 2(r)-t-butoxycarbonylamino-2-phenylethanol

45. N-(tert-butoxycarbonyl)-d-2-phenylglycinol

46. 2-(r)-t-butoxycarbonylamino-2-phenylethanol

47. (2r)-2-t-butoxycarbonylamino-2-phenylethanol

48. A22806

49. (r)-tert-butyl 2-hydroxy-1-phenylethylcarbamate

50. 089b747

51. Q-101621

52. (betar)-beta-(tert-butoxycarbonylamino)benzeneethanol

53. ((r)-2-hydroxy-1-phenylethyl)carbamic Acid Tert-butyl Ester

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 237.29 g/mol
Molecular Formula C13H19NO3
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass237.13649347 g/mol
Monoisotopic Mass237.13649347 g/mol
Topological Polar Surface Area58.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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