CAS 5267-64-1

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Also known as: 5267-64-1, D-penylalaninol, (r)-2-amino-3-phenylpropan-1-ol, (2r)-2-amino-3-phenylpropan-1-ol, (+)-d-phenylalaninol, (r)-2-amino-3-phenyl-1-propanol

Molecular Formula

C₉H₁₃NO

Molecular Weight

151.21 g/mol

InChI Key

STVVMTBJNDTZBF-SECBINFHSA-N

FDA UNII

A6QY3U3O3V

1 2D Structure

CAS 5267-64-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R)-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-/m1/s1

2.1.3 InChI Key

STVVMTBJNDTZBF-SECBINFHSA-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

A6QY3U3O3V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5267-64-1

2. D-penylalaninol

3. (r)-2-amino-3-phenylpropan-1-ol

4. (2r)-2-amino-3-phenylpropan-1-ol

5. (+)-d-phenylalaninol

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

7. D-(+)-phenylalaninol

8. Phenylalaninol, D-

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

10. Mfcd00064298

11. (r)-phenylalaninol

12. A6qy3u3o3v

13. Chembl1235200

14. (r)-2-amino-3-phenyl-propan-1-ol

15. D-phenyl Alaninol

16. (r)-2-amino-3-phenylpropanol

17. 2-amino-3-phenyl-1-propanol #

18. D-phenylalaniol

19. Einecs 226-086-1

20. (r)-benzylglycinol

21. Unii-a6qy3u3o3v

22. Phenylalaninol, (r)-

23. Schembl177073

24. D(+)-phenylalaninol;(r)-(+)-2-amino-3-phenyl-1-propanol;d-penylalaninol

25. (r)-(+)-phenylalaninol

26. Solriamfetol Metabolite M8

27. Dtxsid401316779

28. Bdbm50367057

29. (2r)-2-amino-3-phenyl-1-propanol

30. (r)-(+)-2-amino-3-phenylpropanol

31. Akos000558103

32. Akos005519158

33. Am82191

34. Cs-w018114

35. Hy-w017398

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

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

38. Benzenepropanol, .beta.-amino-, (r)-

39. (r)-1-hydroxymethyl-2-phenyl-ethylamine

40. As-12575

41. (2r)-3-phenyl-2-amino-1-propanol

42. P1289

43. En300-73161

44. M04116

45. (r)-(+)-2-amino-3-phenyl-1-propanol, 98%

46. A905772

47. ((1r)-1-hydroxymethyl-2-phenylethyl)amine

48. Benzenepropanol, .beta.-amino-, (.beta.r)-

49. Q27464374

50. (r)-2-amino-3-phenylpropan-1-ol;d-(+)-phenylalaninol

51. F0001-2353

52. Z1157651018

2.4 Create Date

2005-07-09

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