CAS 62062-65-1

Chemistry, 7 End Use API, 18 Related Intermediates

Manufacturers/Suppliers

7 Suppliers

7 Suppliers

Also known as: 62062-65-1, 39825-33-7, (s)-isopropyl 2-aminopropanoate hydrochloride, H-ala-oipr.hcl, H-ala-oipr hcl, (s)-isopropyl 2-aminopropanoate hcl

Molecular Formula

C₆H₁₄ClNO₂

Molecular Weight

167.63 g/mol

InChI Key

YAQKNCSWDMGPOY-JEDNCBNOSA-N

FDA UNII

XE5BV8F75L

1 2D Structure

CAS 62062-65-1

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 Other Identifiers

2.2.1 UNII

XE5BV8F75L

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 62062-65-1

2. 39825-33-7

3. (s)-isopropyl 2-aminopropanoate Hydrochloride

4. H-ala-oipr.hcl

5. H-ala-oipr Hcl

6. (s)-isopropyl 2-aminopropanoate Hcl

7. Isopropyl L-alaninate Hydrochloride

8. Xe5bv8f75l

9. Alanine, 1-methylethyl Ester, Hydrochloride

10. Propan-2-yl (2s)-2-aminopropanoate;hydrochloride

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

12. (s)-isopropyl-2-aminopropanoate Hydrochloride

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

14. H-ala-oipr Hydrochloride

15. Mfcd08059709

16. Isopropyl L-alanine Hydrochloride

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

18. H-ala-oiprhc

19. L-alanine Isopropylester Hydrochloride

20. Unii-xe5bv8f75l

21. Ec 692-724-4

22. Schembl215571

23. Amy852

24. Dtxsid10960388

25. Iso-propyl Alaninate Hydrochloride

26. Dtxsid001347097

27. 39825-33-7 (non-salt)

28. Akos016016046

29. Ac-8641

30. Cs-w019924

31. Gs-5932

32. L-alanine Iso-propyl Ester Hydrochloride

33. Ac-29152

34. (s)-isopropyl2-aminopropanoatehydrochloride

35. Isopropyl (s)-2-aminopropionate Hydrochloride

36. M02938

37. Propan-2-yl Alaninate--hydrogen Chloride (1/1)

38. 825h337

39. A854791

40. L-alanine, 1-methylethyl Ester, Hydrochloride

41. L-alanine, 1-methylethyl Ester, Hydrochloride (1:1)

2.4 Create Date

2007-02-08

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