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Also known as: 79069-13-9, N-boc-l-alaninol, Boc-alaninol, N-tert-butoxycarbonyl-l-alaninol, (s)-2-(boc-amino)-1-propanol, (s)-tert-butyl (1-hydroxypropan-2-yl)carbamate
Molecular Formula
C8H17NO3
Molecular Weight
175.23  g/mol
InChI Key
PDAFIZPRSXHMCO-LURJTMIESA-N
FDA UNII
57BU9FA6VG

CAS 79069-13-9
1 2D Structure

CAS 79069-13-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
2.1.2 InChI
InChI=1S/C8H17NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h6,10H,5H2,1-4H3,(H,9,11)/t6-/m0/s1
2.1.3 InChI Key
PDAFIZPRSXHMCO-LURJTMIESA-N
2.1.4 Canonical SMILES
CC(CO)NC(=O)OC(C)(C)C
2.1.5 Isomeric SMILES
C[C@@H](CO)NC(=O)OC(C)(C)C
2.2 Other Identifiers
2.2.1 UNII
57BU9FA6VG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 79069-13-9

2. N-boc-l-alaninol

3. Boc-alaninol

4. N-tert-butoxycarbonyl-l-alaninol

5. (s)-2-(boc-amino)-1-propanol

6. (s)-tert-butyl (1-hydroxypropan-2-yl)carbamate

7. N-(tert-butoxycarbonyl)-l-alaninol

8. Tert-butyl N-[(2s)-1-hydroxypropan-2-yl]carbamate

9. (s)-n-boc-alaninol

10. (s)-2-(tert-butoxycarbonylamino)-1-propanol

11. (s)-tert-butyl 1-hydroxypropan-2-ylcarbamate

12. (s)-(-)-2-(tert-butoxycarbonylamino)-1-propanol

13. Tert-butyl (s)-(1-hydroxypropan-2-yl)carbamate

14. Carbamic Acid, [(1s)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl Ester

15. Mfcd00043121

16. Tert-butyl [(2s)-1-hydroxypropan-2-yl]carbamate

17. Carbamic Acid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl Ester, (s)-

18. Tert-butyl ((2s)-1-hydroxypropan-2-yl)carbamate

19. Boc-ala-ol

20. Boc-(s)-alaninol

21. (2s)-2-aminopropan-1-ol, N-boc Protected

22. 57bu9fa6vg

23. Schembl57872

24. N-t-butoxycarbonyl-l-alaninol

25. Tert-butyl N-[(1s)-2-hydroxy-1-methyl-ethyl]carbamate

26. Dtxsid40427479

27. N-boc-l-alaninol, Boc-l-alaninol

28. Fd1019

29. Akos015838059

30. N-(tert.-butyloxycarbonyl)-l-alaninol

31. Cs-w007729

32. Hy-w007729

33. (s)-2-t-butoxycarbonylamino-1-propanol

34. Ac-23791

35. As-14668

36. Bp-12774

37. Am20100787

38. B1953

39. (5)-tert-butyl 1-hydroxypropan-2-ylcarbamate

40. (s)-2-(tert-butoxycarbonyl)amino-1-propanol

41. (s)-tert-butyl-1-hydroxypropan-2-ylcarbamate

42. Tert-butyl 2-hydroxy-1-methylethylcarbamate #

43. (s)-tert-butyl 1 -hydroxypropan-2-ylcarbamate

44. B-4620

45. En300-156990

46. T-butyl (1s)-2-hydroxy-1-methylethylcarbamate

47. (s)-2-(n-tert-butoxycarbonylamino)-1-propanol

48. T-butyl (s)-(2-hydroxy-1-methylethyl)carbamate

49. Tert-butyl[(2s)-1-hydroxypropan-2-yl]carbamate

50. (s)-tert-butyl (1-hydroxypropan-2-yl)-carbamate

51. A839569

52. (s)-(?)-2-(tert-butoxycarbonylamino)-1-propanol

53. J-502278

54. Tert-butyl [(1s)-2-hydroxy-1-methylethyl]carbamate

55. Tert-butyl[(1s)-2-hydroxy-1-methylethyl]carbamate

56. (s)-2-[n-(2-methyl-2-propyloxycarbonyl) Amino]propanol

57. ((s)-2-hydroxy-1-methyl-ethyl)-carbamic Acid Tert-butyl Ester

58. ((s)-2-hydroxy-1-methylethyl)carbamic Acid Tert-butyl Ester

59. (1s)-2-hydroxy-1-methyl-ethyl-carbamic Acid Tert-butyl Ester

60. (s)-(2-hydroxy-1-methyl-ethyl)-carbamic Acid Tert-butyl Ester

61. 1,1-dimethylethyl N-[(1s)-2-hydroxy-1-methylethyl]carbamate

62. (s)-2-(boc-amino)-1-propanol, 98%, Optical Purity Ee: 98% (glc)

63. Carbamic Acid, N-[(1s)-2-hydroxy-1-methylethyl]-, 1,1-dimethylethyl Ester

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 175.23 g/mol
Molecular Formula C8H17NO3
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area58.6
Heavy Atom Count12
Formal Charge0
Complexity151
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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