CAS 1738-76-7

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2 Suppliers, 2 End Use APIs, 6 Related Intermediates

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2 End Use APIs
6 Related Intermediates

Chemistry

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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

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 Formula	C₁₆H₁₉NO₅S
Molecular Weight	337.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	337.09839388 g/mol
Monoisotopic Mass	337.09839388 g/mol
Topological Polar Surface Area	115 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	348
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2