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Overview of CAS 62062-65-1

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4CH-009951
PharmaCompass
4CH-009951
Also known as: 62062-65-1, L-alanine isopropyl ester hydrochloride, (s)-isopropyl 2-aminopropanoate hydrochloride, 39825-33-7, H-ala-oipr hcl, H-ala-oipr.hcl
Molecular Formula
C6H14ClNO2
Molecular Weight
167.633  g/mol
InChI Key
YAQKNCSWDMGPOY-JEDNCBNOSA-N

1 2D Structure

4CH-009951

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
propan-2-yl (2S)-2-aminopropanoate;hydrochloride
2.1.2 InChI
InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
2.1.3 InChI Key
YAQKNCSWDMGPOY-JEDNCBNOSA-N
2.1.4 Canonical SMILES
CC(C)OC(=O)C(C)N.Cl
2.1.5 Isomeric SMILES
C[C@@H](C(=O)OC(C)C)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 62062-65-1

2. L-alanine Isopropyl Ester Hydrochloride

3. (s)-isopropyl 2-aminopropanoate Hydrochloride

4. 39825-33-7

5. H-ala-oipr Hcl

6. H-ala-oipr.hcl

7. H-ala-oipr Hydrochloride

8. Alanine Isopropyl Ester Hydrochloride

9. L-alanine Isopropylester Hydrochloride

10. Mfcd08059709

11. Ak-40023

12. (s)-isopropyl 2-aminopropanoate Hcl

13. Alanine, 1-methylethyl Ester, Hydrochloride

14. Isopropyl (2s)-2-aminopropanoate Hydrochloride

15. Propan-2-yl (2s)-2-aminopropanoate Hydrochloride

16. H-ala-oiprhcl

17. H-ala-oiprhydrochloride

18. Pubchem20221

19. Schembl215571

20. Ctk3j1721

21. Iso-propyl Alaninate Hydrochloride

22. Molport-006-701-250

23. Yaqkncswdmgpoy-jedncbnosa-n

24. Isopropyl L-alaninate Hydrochloride

25. Ks-00000jd0

26. Zx-at013855

27. Isopropyl L-alaninate Hydrochloride;

28. Alanine I-propyl Ester Hydrochloride;

29. Anw-41657

30. Ebd547899

31. Alanine Isopropyl Ester Hydrochloride;

32. Akos016016046

33. Ac-8641

34. An-7831

35. Cm14187

36. Gs-5932

37. Ls30131

38. Or61429

39. Rtr-015896

40. L-alanine Iso-propyl Ester Hydrochloride

41. L-alanine Isopropyl Ester Hydrochloride;

42. Br-40023

43. L-alanin-1-methylethylester-hydrochlorid;

44. Sc-70925

45. Ab0068861

46. Ax8020642

47. Kb-211739

48. (s)isopropyl 2-aminopropanoate Hydrochloride

49. 4ch-009951

50. Ft-0658734

51. Ft-0698691

52. St24030739

53. Isopropyl (s)-2-aminopropionate Hydrochloride

54. (s)-isopropyl 2-aminopropanoate Hydrochloride;

55. M02938

56. Y-9076

57. 825h337

58. (s)-2-amino-propionic Acid Isopropyl Ester Hydrochloride

59. (s)-2-aminopropionic Acid Isopropyl Ester Hydrochloride

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 167.633 g/mol
Molecular Formula C6H14ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.071 g/mol
Monoisotopic Mass167.071 g/mol
Topological Polar Surface Area52.3 A^2
Heavy Atom Count10
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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