Aminoacetonitrile Hydrogen Sulfate

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Also known as: 151-63-3, Aminoacetonitrile hydrogen sulfate, 2-aminoacetonitrile sulfate, Aminoacetonitrile sulfate (1:1), Aminoacetonitrile hydrogensulfate, Aminoacetonitrile hydrosulfate

Molecular Formula

C₂H₆N₂O₄S

Molecular Weight

154.15 g/mol

InChI Key

GTGIXCPOLMWQTC-UHFFFAOYSA-N

FDA UNII

7XA82HGQ1C

1 2D Structure

Aminoacetonitrile Hydrogen Sulfate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-aminoacetonitrile;sulfuric acid

2.1.2 InChI

InChI=1S/C2H4N2.H2O4S/c3-1-2-4;1-5(2,3)4/h1,3H2;(H2,1,2,3,4)

2.1.3 InChI Key

GTGIXCPOLMWQTC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(C#N)N.OS(=O)(=O)O

2.2 Other Identifiers

2.2.1 UNII

7XA82HGQ1C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 151-63-3

2. Aminoacetonitrile Hydrogen Sulfate

3. 2-aminoacetonitrile Sulfate

4. Aminoacetonitrile Sulfate (1:1)

5. Aminoacetonitrile Hydrogensulfate

6. Aminoacetonitrile Hydrosulfate

7. 2-aminoacetonitrile;sulfuric Acid

8. Aminoacetonitrile Bisulphate

9. Acetonitrile, Amino-, Sulfate

10. 2-aminoacetonitrile; Sulfuric Acid

11. Aminoacetonnitrile Hydrogen Sulfate

12. 7xa82hgq1c

13. Acetonitrile, 2-amino-, Sulfate (1:1)

14. Aminomethylcyanide Hydrogen Sulfate

15. Einecs 205-794-4

16. Unii-7xa82hgq1c

17. Ai3-52434

18. Acetonitrile, Amino-, Bisulfate

19. Acetonitrile, Amino-, Sulfate (1:1)

20. Glycinonitrile Bisulfate

21. Aminoacetonitrile Sulphate

22. Cyanomethylamine Monosulfate

23. Amino Acetonitrile Bisulfate

24. Aminoacetonitrile Monosulfate

25. 2-aminoacetonitrile Bisulfate

26. Glycinonitrile Hydrogensulfate

27. Schembl73406

28. Wln: Z1cn &s-o4

29. Acetonitrile, Sulfate (2:1)

30. Glycinonitrile Hydrogen Sulfate

31. Cyanomethylamine Hydrogen Sulfate

32. Dtxsid90164685

33. Aminoacetonitrile Hydrogen Sulphate

34. 2-aminoacetonitrile, Sulfuric Acid

35. Nsc25804

36. 2-aminoacetonitrile Sulfate (1:1)

37. 2-azanylethanenitrile; Sulfuric Acid

38. Mfcd00012851

39. Akos015894251

40. Aminoacetonitrile Hydrogensulfate, 97%

41. As-75597

42. A0248

43. Cs-0217566

44. Ft-0607336

45. Aminoacetonitrile Sulfate (1:1) [mi]

46. En300-77578

47. H11038

48. A809201

49. A830303

50. J-008827

51. Q27268980

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂H₆N₂O₄S
Molecular Weight	154.15 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	154.00482785 g/mol
Monoisotopic Mass	154.00482785 g/mol
Topological Polar Surface Area	133 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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