CAS 3182-95-4

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Chemistry

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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

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 Formula	C₉H₁₃NO
Molecular Weight	151.21 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	46.2
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1