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Also known as: 3182-95-4, (s)-2-amino-3-phenylpropan-1-ol, Phenylalaninol, (s)-2-amino-3-phenyl-1-propanol, H-phenylalaninol, (s)-(-)-2-amino-3-phenyl-1-propanol
Molecular Formula
C9H13NO
Molecular Weight
151.21  g/mol
InChI Key
STVVMTBJNDTZBF-VIFPVBQESA-N
FDA UNII
9GE9QOP0ET

CAS 3182-95-4
1 2D Structure

CAS 3182-95-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-3-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
2.1.3 InChI Key
STVVMTBJNDTZBF-VIFPVBQESA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CC(CO)N
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)C[C@@H](CO)N
2.2 Other Identifiers
2.2.1 UNII
9GE9QOP0ET
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (s)-2-amino-3-phenyl-1-propanol

2. Phenylalaninol

3. Phenylalaninol Hydrobromide

4. Phenylalaninol, (r)-isomer

5. Phenylalaninol, (s)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 3182-95-4

2. (s)-2-amino-3-phenylpropan-1-ol

3. Phenylalaninol

4. (s)-2-amino-3-phenyl-1-propanol

5. H-phenylalaninol

6. (s)-(-)-2-amino-3-phenyl-1-propanol

7. (2s)-2-amino-3-phenylpropan-1-ol

8. (s)-phenylalaninol

9. L-(-)-phenylalaninol

10. S-phenylalaninol

11. H-phe-ol

12. (s)-2-benzylethanolamine

13. L-2-amino-3-phenyl-1-propanol

14. (s)-beta-aminobenzenepropanol

15. (s)-(-)-phenylalaninol

16. L-phenyl Alaninol

17. Mfcd00004732

18. 9ge9qop0et

19. Chembl1235287

20. (2s)-2-amino-3-phenyl-1-propanol

21. (s)-(-)-2-amino-3-phenyl-propanol

22. 1-propanol, 2-amino-3-phenyl-, L-

23. (-)-l-phenylalaninol

24. (r)-(+)-2-amino-3-phenyl-1-propanol

25. L-2-amino-3-phenylpropan-1-ol

26. 2-amino-3-phenyl-1-propanol #

27. L-benzylglycinol

28. L-phenylalanoil

29. 1-phenylalaninol

30. L-2-phenylalaninol

31. (l)-phenylalaninol

32. Einecs 221-674-4

33. L(-)-2-amino-3-phenyl-1-propanol

34. L(-)-phenylalaninol

35. L-(s)-phenylalaninol

36. Benzenepropanol, .beta.-amino-, (s)-

37. Spectrum2_000830

38. Spectrum3_001978

39. Unii-9ge9qop0et

40. Benzenepropanol, .beta.-amino-, (.beta.s)-

41. L-(-)-2-amino-3-phenyl-1-propanol

42. Bound Form Of Phenylalaninal

43. Schembl81769

44. Bspbio_003578

45. Mls002207066

46. (l)-(-)-2-phenylalaninol

47. Phenylalaninol, (s)-

48. Spectrum1505339

49. Spbio_000759

50. Gtpl4752

51. Chebi:45086

52. Kbio3_002959

53. Dtxsid001025528

54. 2-(s)-amino-3-phenyl-1-propanol

55. Bcp17030

56. Cs-d1142

57. Hy-y0168

58. (-)-2-amino-3-phenyl-1-propanol

59. (1s)-1-benzyl-2-hydroxyethylamine

60. Bdbm50367058

61. Benzenepropanol, Beta-amino-, (s)-

62. Ccg-40282

63. (s)-2-amino-3-phenyl-propan-1-ol

64. Akos005259774

65. Ac-5650

66. Db04484

67. (s)(-)-2-amino-3-phenyl-1-propanol

68. (s)-1-hydroxymethyl-2-phenyl-ethylamine

69. D-(+)-2-amino-3-phenyl-1-propanol?

70. Ncgc00177983-01

71. Ac-16295

72. Ac-22383

73. Bp-20243

74. Smr001306708

75. Ts-01999

76. (s)-(-)-2-arnino-3-phenyl-1-propanol

77. Am20040161

78. Bb 0262987

79. P1028

80. En300-91756

81. P-3550

82. P-3551

83. J-520201

84. Brd-k44204252-001-02-2

85. Brd-k44204252-001-04-8

86. Q27081711

87. Z1741982891

88. (s)-(-)-2-amino-3-phenyl-1-propanol, 98%, Optical Purity Ee: 99% (hplc)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 151.21 g/mol
Molecular Formula C9H13NO
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area46.2
Heavy Atom Count11
Formal Charge0
Complexity99.7
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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