926-39-6

Chemistry, 1 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 926-39-6, Aminoethyl sulfate, Ethanolamine o-sulfate, 2-aminoethyl sulfate, 2-aminoethyl hydrogen sulphate, 2-aminoethylhydrogensulfate

Molecular Formula

C₂H₇NO₄S

Molecular Weight

141.15 g/mol

InChI Key

WSYUEVRAMDSJKL-UHFFFAOYSA-N

FDA UNII

9C8F910HLK

1 2D Structure

926-39-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminoethyl hydrogen sulfate

2.1.2 InChI

InChI=1S/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)

2.1.3 InChI Key

WSYUEVRAMDSJKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(COS(=O)(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

9C8F910HLK

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Ethanolamine O-sulfate

2.3.2 Depositor-Supplied Synonyms

1. 926-39-6

2. Aminoethyl Sulfate

3. Ethanolamine O-sulfate

4. 2-aminoethyl Sulfate

5. 2-aminoethyl Hydrogen Sulphate

6. 2-aminoethylhydrogensulfate

7. Mono(2-aminoethyl) Sulfate

8. Was-34

9. Sulfuric Acid Mono(2-aminoethyl) Ester

10. Ethanol, 2-amino-, Hydrogen Sulfate (ester)

11. Sulfuric Acid Mono 2-aminoethylester

12. 2-aminoethyl Sulfuric Acid

13. 9c8f910hlk

14. Chembl341858

15. Dtxsid3044469

16. Nsc-3532

17. Nsc-204188

18. Ethanol, 2-amino-, 1-(hydrogen Sulfate)

19. C2h7no4s

20. Ethanol, Hydrogen Sulfate (ester)

21. 2-azanylethyl Hydrogen Sulfate

22. Eos

23. Nsc 3532

24. Einecs 213-135-7

25. Nsc 204188

26. Unii-9c8f910hlk

27. 2-aminoethyl Hyorogen Sulfate

28. 2-aminoethanol, Hydrogen Sulfate (ester)

29. Ai3-16953

30. Mfcd00008179

31. Ethanolamine-o-sulphate

32. 2-aminoethanol Sulfate

33. Ethanolamine Sulfate

34. 2-aminoethyl Hydrogensulfate

35. (2-aminoethoxy)sulfonic Acid

36. Schembl222524

37. Dtxcid1024469

38. Wsyuevramdsjkl-uhfffaoysa-

39. Aminoethyl Sulfate [inci]

40. Nsc3532

41. Tox21_302045

42. Bdbm50281574

43. Ethanol, 2-amino-, Hydrogen Sulfate

44. Nsc204188

45. Stl183260

46. Akos005216612

47. Sulphuric Acid Mono-(2-aminoethyl)ester

48. Sulphuric Acid Mono-2-amino-ethyl Ester

49. Ncgc00255868-01

50. Cas-926-39-6

51. Ds-15965

52. Sulfuric Acid Mono-(2-amino-ethyl) Ester

53. Cs-0059227

54. Ft-0611246

55. En300-81510

56. 2-aminoethyl Hydrogen Sulfate, >=98.0% (t)

57. D71117

58. A860009

59. Q-101293

60. Q5403035

61. F0001-2229

62. Inchi=1/c2h7no4s/c3-1-2-7-8(4,5)6/h1-3h2,(h,4,5,6)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₇NO₄S
Molecular Weight	141.15 g/mol
XLogP3	-4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	98
Heavy Atom Count	8
Formal Charge	0
Complexity	133
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Diuretics

Agents that promote the excretion of urine through their effects on kidney function. (See all compounds classified as Diuretics.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)