CAS 6306-52-1

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32 Related Intermediates

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Chemistry

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Also known as: 6306-52-1, H-val-ome.hcl, Methyl valinate hydrochloride, (s)-methyl 2-amino-3-methylbutanoate hydrochloride, L-valine methyl ester hcl, Methyl l-valinate hydrochloride

Molecular Formula

C₆H₁₄ClNO₂

Molecular Weight

167.63 g/mol

InChI Key

KUGLDBMQKZTXPW-JEDNCBNOSA-N

1 2D Structure

CAS 6306-52-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2S)-2-amino-3-methylbutanoate;hydrochloride

2.1.2 InChI

InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1

2.1.3 InChI Key

KUGLDBMQKZTXPW-JEDNCBNOSA-N

2.1.4 Canonical SMILES

CC(C)C(C(=O)OC)N.Cl

2.1.5 Isomeric SMILES

CC(C)[C@@H](C(=O)OC)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6306-52-1

2. H-val-ome.hcl

3. Methyl Valinate Hydrochloride

4. (s)-methyl 2-amino-3-methylbutanoate Hydrochloride

5. L-valine Methyl Ester Hcl

6. Methyl L-valinate Hydrochloride

7. H-l-val-ome Hcl

8. L-valine Methyl Ester, Hcl

9. L-valine, Methyl Ester, Hydrochloride

10. Valine Methyl Ester Hydrochloride

11. H-val-ome Hydrochloride

12. (s)-2-amino-3-methyl-butyric Acid Methyl Ester Hydrochloride

13. Methyl (2s)-2-amino-3-methylbutanoate;hydrochloride

14. H-val-ome Hcl

15. L-valine Methylester Hcl

16. L-valine Methyl-ester Hcl

17. L-methyl Valinate Hydrochloride

18. Methyl (2s)-2-amino-3-methylbutanoate Hydrochloride

19. Mfcd00012497

20. Methyl Valinate Hcl

21. (s)-2-amino-3-methyl-butyric Acid Methyl Esterhydrochloride

22. Einecs 228-620-9

23. H-val-ome?cl

24. Val-ome Hydrochloride

25. H-val-ome. Hcl

26. H-val-ome⋅hcl

27. H-val-och3.hcl

28. Schembl261172

29. Valine Methylester Hydrochloride

30. Valin Methyl Ester Hydrochloride

31. Chembl1221961

32. Dtxsid60212389

33. L-valine Methylester Hydrochloride

34. L-valine Methyl Ester Hydrochoride

35. L Valine Methyl Ester Hydrochloride

36. Act08510

37. Bcp11286

38. Str02995

39. Nsc 22920

40. (l)-valine Methyl Ester Hydrochloride

41. (s)-valine Methyl Ester Hydrochloride

42. Akos015845881

43. Akos015892711

44. Ac-6863

45. Cs-w010793

46. Hy-w010077

47. Nsc 197198

48. L-(+)-valine Methyl Ester Hydrochloride

49. L-valine Methyl Ester Hydrochloride, 99%

50. Db-029990

51. Am20100557

52. V0056

53. M02951

54. 306v521

55. J-300307

56. L-2-aminoisovaleric Acid Methyl Ester Hydrochloride

57. Q-101859

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₄ClNO₂
Molecular Weight	167.63 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	167.0713064 g/mol
Monoisotopic Mass	167.0713064 g/mol
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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	2