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Also known as: 7533-40-6, (s)-(+)-leucinol, Leucinol, L(+)-leucinol, (s)-2-amino-4-methylpentan-1-ol, L-(+)-leucinol
Molecular Formula
C6H15NO
Molecular Weight
117.19  g/mol
InChI Key
VPSSPAXIFBTOHY-LURJTMIESA-N

CAS 7533-40-6
1 2D Structure

CAS 7533-40-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-amino-4-methylpentan-1-ol
2.1.2 InChI
InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
2.1.3 InChI Key
VPSSPAXIFBTOHY-LURJTMIESA-N
2.1.4 Canonical SMILES
CC(C)CC(CO)N
2.1.5 Isomeric SMILES
CC(C)C[C@@H](CO)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Leucinol

2.2.2 Depositor-Supplied Synonyms

1. 7533-40-6

2. (s)-(+)-leucinol

3. Leucinol

4. L(+)-leucinol

5. (s)-2-amino-4-methylpentan-1-ol

6. L-(+)-leucinol

7. (2s)-2-amino-4-methylpentan-1-ol

8. H-leucinol

9. (s)-leucinol

10. 1-pentanol, 2-amino-4-methyl-, (s)-

11. Mfcd00063676

12. (2s)-2-amino-4-methyl-1-pentanol

13. 2-amino-4-methyl-pentan-1-ol

14. H-leu-ol

15. 2-amino-4-methyl-1-pentanol #

16. (s)-(+)-2-amino-4-methyl-1-pentanol

17. Rac-leucinol

18. 1-pentanol, 2-amino-4-methyl-, (2s)-

19. (l)-leucinol

20. Einecs 231-400-5

21. (+)-leucinol

22. (s)-(+)leucinol

23. (s)-(+) Leucinol

24. Ai3-62983

25. Schembl143928

26. Gtpl4751

27. (s)-2-amino-4-methylpentanol

28. Chembl1232141

29. (2s)-2-amino-4-methylpentanol

30. (s)-(+)-leucinol, 96%

31. Dtxsid001032725

32. (s)-2-amino-4-methyl-1-pentanol

33. (s)-2-amino-4-methyl-pentan-1-ol

34. Akos015841781

35. Ac-1342

36. Cs-w016592

37. Ds-1180

38. Hy-w015876

39. Bp-12895

40. (1s)-1-(hydroxymethyl)-3methylbutylamine

41. (1s)-1-(hydroxymethyl)-3-methylbutylamine

42. Am20100733

43. L0137

44. (1s)-1-(hydroxymethyl)-3-methyl Butylamine

45. En300-112714

46. L-3700

47. M03441

48. A838385

49. Q-102752

50. Q27081020

51. F1564-0029

52. (s)-2-amino-4-methyl-1-pentanol, 2-amino-4-methyl-1-pentanol

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 117.19 g/mol
Molecular Formula C6H15NO
XLogP30.4
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 Count8
Formal Charge0
Complexity54.5
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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