CAS 7533-40-6

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1 End Use APIs
35 Related Intermediates

Chemistry

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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

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 Formula	C₆H₁₅NO
Molecular Weight	117.19 g/mol
XLogP3	0.4
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	8
Formal Charge	0
Complexity	54.5
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