CAS 5619-04-5

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Also known as: 5619-04-5, H-dl-ser-ome.hcl, Methyl 2-amino-3-hydroxypropanoate hydrochloride, Methyl-dl-serine hydrochloride, Methyl dl-serinate hcl, Dl-serine methyl ester hcl

Molecular Formula

C₄H₁₀ClNO₃

Molecular Weight

155.58 g/mol

InChI Key

NDBQJIBNNUJNHA-UHFFFAOYSA-N

1 2D Structure

CAS 5619-04-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-amino-3-hydroxypropanoate;hydrochloride

2.1.2 InChI

InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H

2.1.3 InChI Key

NDBQJIBNNUJNHA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)C(CO)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5619-04-5

2. H-dl-ser-ome.hcl

3. Methyl 2-amino-3-hydroxypropanoate Hydrochloride

4. Methyl-dl-serine Hydrochloride

5. Methyl Dl-serinate Hcl

6. Dl-serine Methyl Ester Hcl

7. Mfcd00012593

8. D,l-serine Methyl Ester Hydrochloride

9. L-serine Methyl Ester, Hcl

10. 5819-04-5

11. Methyl 2-amino-3-hydroxypropanoate;hydrochloride

12. H-d-ser-ome.hcl;(r)-methyl 2-amino-3-hydroxypropanoate Hydrochloride

13. L-serine, Hydrochloride

14. Methyl D-serinate Hydrochloride

15. C4h10clno3

16. Mfcd00063680

17. Mfcd00066121

18. Cycloserine Impurity 2

19. Dl-serine Methylester Hcl

20. Methyldl-serinehydrochloride

21. Schembl159221

22. Methyl Dl-serinate Hydrochloride

23. Dl-serine Methyl Ester Hcl Salt

24. Dl-serinemethylester Hydrochloride

25. Dtxsid30971577

26. Act08359

27. Bcp15170

28. Nsc84252

29. Dl Serine Methyl Ester Hydrochloride

30. Einecs 227-047-1

31. Nsc-84252

32. Akos009031553

33. (rs) Serine Methyl Ester Hydrochloride

34. Cs-w014338

35. Gs-3010

36. Hy-w013622

37. Pb43113

38. Sb40719

39. Ac-24068

40. Bp-12553

41. Sy005340

42. Sy005975

43. Sy008009

44. Methyl Serinate--hydrogen Chloride (1/1)

45. Db-052862

46. Db-053253

47. Dl-serine Methyl Ester Hydrochloride, 98%

48. Am20100384

49. Ft-0625615

50. Ft-0628014

51. S0576

52. Ec 227-047-1

53. Methyl 2-amino-3-hydroxypropionate Hydrochloride

54. 3-hydroxy-1-methoxy-1-oxopropan-2-aminium Chloride

55. Methyl (2r)-2-amino-3-hydroxypropanoate Hydrochloride

56. Methyl 2-amino-3-hydroxypropanoate Hydrochloride Salt

57. F0001-1475

58. Z262221428

59. 2-amino-3-hydroxy-propionic Acid Methyl Ester; Hydrochloride

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₁₀ClNO₃
Molecular Weight	155.58 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	155.0349209 g/mol
Monoisotopic Mass	155.0349209 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2