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    Aminoacetonitrile Hydrogen Sulfate

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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 Weight 154.15 g/mol
    Molecular Formula C2H6N2O4S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass154.00482785 g/mol
    Monoisotopic Mass154.00482785 g/mol
    Topological Polar Surface Area133 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2