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Also known as: 1738-76-7, H-gly-obzl.tosoh, H-gly-obzl p-tosylate, Glycine benzyl ester p-toluenesulfonate, Glycine benzyl ester p-toluenesulfonate salt, 114342-15-3
Molecular Formula
C16H19NO5S
Molecular Weight
337.4  g/mol
InChI Key
WJKJXKRHMUXQSL-UHFFFAOYSA-N

CAS 1738-76-7
1 2D Structure

CAS 1738-76-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
benzyl 2-aminoacetate;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)
2.1.3 InChI Key
WJKJXKRHMUXQSL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CN
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1738-76-7

2. H-gly-obzl.tosoh

3. H-gly-obzl P-tosylate

4. Glycine Benzyl Ester P-toluenesulfonate

5. Glycine Benzyl Ester P-toluenesulfonate Salt

6. 114342-15-3

7. Glycine Benzyl Ester Tosylate

8. Aminoacetic Acid Benzyl Ester Toluene-4-sulfonic Acid Salt

9. Glycine Benzyl Ester 4-toluenesulfonate

10. H-gly-obzlp-tosylate

11. H-gly-obzl.tos-oh

12. Mfcd00035425

13. Benzyl 2-aminoacetate;4-methylbenzenesulfonic Acid

14. Benzyl 2-aminoacetate 4-methylbenzenesulfonate

15. 4-methylbenzene-1-sulfonic Acid; Benzyl 2-aminoacetate

16. Glycine Benzyl Ester P-tosylate

17. Glycine Benzyl Ester, P-toluenesulfonate

18. 4-methylbenzenesulfonate;(2-oxo-2-phenylmethoxyethyl)azanium

19. Benzyl Glycinate P-toluenesulfonate

20. Einecs 217-094-6

21. Gly-obzl Tosoh

22. Gly-obzl.tosoh

23. H-gly-obzl. Tos

24. Benzyl Glycinate P-toluenesulfonate Salt

25. Gly-obzl Tos

26. Schembl57630

27. Dtxsid10169657

28. Glycine, Phenylmethyl Ester, 4-methylbenzenesulfonate (1:1)

29. O-benzylglycine Toluene-p-sulfonate

30. Act07362

31. Bcp22630

32. Aminoacetic Acid Benzyl Ester Tosylate

33. Akos001047309

34. Glycine Benzyl Ester.p-toluenesulfonate

35. Ac-8560

36. Am81794

37. Cs-w011916

38. Glycine-benzyl Ester 4-toluenesulfonate

39. Hy-w011200

40. Glycine Benzyl Ester P-toluene-sulfonate

41. Glycine Benzyl Ester P-toluenesulphonate

42. Ac-14338

43. As-12127

44. Sy038933

45. O-benzylglycine P-toluenesulfonic Acid Salt

46. Benzyl Aminoacetate 4-methylbenzenesulfonate

47. Db-043961

48. Methyl4-chloro-3,5-dinitrobenzoate

49. B0266

50. Ft-0626766

51. Ft-0687345

52. Glycine Benzyl Ester 4-toluenesulfonate Salt

53. M03020

54. Glycine Benzyl Ester P-toluenesulfonic Acid Salt

55. Glycine Benzyl Ester-p-toluenesulfonic Acid Salt

56. Glycine Benzylester P-toluene Sulfonic Acid Salt

57. 342g153

58. A811577

59. A851080

60. J-010948

61. J-300141

62. Q-101817

63. L-glycine Benzyl Ester P-toluenesulfonate Salt

64. Z56904671

65. F1967-6724

66. Amino-acetic Acid Benzyl Ester Toluene-4-sulfonic Acid Salt

67. Glycine Benzyl Ester P-toluenesulfonate Salt, >=99.0% (t)

68. Benzyl 2-aminoacetate; 4-methylbenzenesulfonic Acid;h-gly-obzl.tosoh

2.3 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 337.4 g/mol
Molecular Formula C16H19NO5S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass337.09839388 g/mol
Monoisotopic Mass337.09839388 g/mol
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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