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CAS 1738-76-7
PharmaCompass
  • Chemistry
CAS 1738-76-7
Also known as: 1738-76-7, H-gly-obzl.tosoh, Glycine benzyl ester p-toluenesulfonate, Glycine benzyl ester p-toluenesulfonate salt, Benzyl glycinate p-toluenesulfonate, H-gly-obzl p-tosylate
Molecular Formula
C16H19NO5S
Molecular Weight
337.39  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. Glycine Benzyl Ester P-toluenesulfonate

4. Glycine Benzyl Ester P-toluenesulfonate Salt

5. Benzyl Glycinate P-toluenesulfonate

6. H-gly-obzl P-tosylate

7. Gly-obzl.tsoh

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

9. 114342-15-3

10. Glycine Benzyl Ester P-tosylate

11. Glycine Benzyl Ester 4-toluenesulfonate

12. Benzyl Glycinate P-toluenesulfonate Salt

13. Glycine Benzyl Ester Tosylate

14. P-tosylglycine Benzyl Ester

15. Mfcd00035425

16. 4-methylbenzene-1-sulfonic Acid; Benzyl 2-aminoacetate

17. Benzyl 2-aminoacetate; 4-methylbenzenesulfonic Acid

18. C16h19no5s

19. Einecs 217-094-6

20. Gly-obzl Tosoh

21. H-gly-obzl. Tos

22. H-gly-obzl??tos

23. H-gly-obzl.tos-oh

24. Pubchem11141

25. Ac1q2lrn

26. Acmc-209e7h

27. Schembl57630

28. Ac1o534x

29. Jsp003555

30. Ctk3j4449

31. Dtxsid10169657

32. Molport-001-836-491

33. Wjkjxkrhmuxqsl-uhfffaoysa-n

34. Act07362

35. Anw-22683

36. Sbb063677

37. Aminoacetic Acid Benzyl Ester Tosylate

38. Akos001047309

39. Glycine Benzyl Ester.p-toluenesulfonate

40. Ac-8560

41. Am81794

42. An-7881

43. Glycine-benzyl Ester 4-toluenesulfonate

44. Mcule-7529657957

45. Rtr-007708

46. Glycine Benzyl Ester P-toluene-sulfonate

47. Glycine Benzyl Ester P-toluenesulphonate

48. Ks-00000j02

49. Benzyl Glycinate 4-methylbenzenesulfonate

50. Glycine Benzyl Ester, P-toluenesulfonate

51. Ac-14338

52. Ak-41495

53. As-12127

54. Kb-96217

55. Or008320

56. Sc-09568

57. O-benzylglycine P-toluenesulfonic Acid Salt

58. Ab0011356

59. Benzyl Aminoacetate 4-methylbenzenesulfonate

60. St2406630

61. Tr-007708

62. B0266

63. Benzyl 2-aminoacetate Para-toluene Sulfonate

64. Ft-0626766

65. Ft-0687345

66. St50410654

67. Benzyl 2-aminoacetate 4-methylbenzenesulfonate

68. Benzyl Glycinate 4-methylbenzenesulfonate Salt

69. M03020

70. Gly-obzl Inverted Exclamation Mark Currencytosoh

71. Glycine Benzyl Ester P-toluenesulfonic Acid Salt

72. Glycine Benzyl Ester-p-toluenesulfonic Acid Salt

73. Glycine Benzylester P-toluene Sulfonic Acid Salt

74. 342g153

75. A811577

76. Benzyl 2-aminoacetate; Toluenesulfonic Acid

77. I01-2504

78. J-010948

79. J-300141

80. Q-101817

81. I14-32976

82. Z56904671

83. F1967-6724

84. Phenylmethyl 2-aminoacetate, 4-methylbenzenesulfonic Acid

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

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

87. 4-methylbenzenesulfonic Acid; (phenylmethyl) 2-azanylethanoate

88. 2-aminoacetic Acid (phenylmethyl) Ester; 4-methylbenzenesulfonic Acid

2.3 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass337.098 g/mol
Monoisotopic Mass337.098 g/mol
Topological Polar Surface Area115 A^2
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
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