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2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate

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Category Antiviral intermediates
CAS 1603-02-7
Description 2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate (CAS# 1603-02-7) is a compound useful in organic synthesis.
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Product Information

Synonyms sulfuric acid (2,5,6-triamino-4-pyrimidinyl) ester; (2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
IUPAC Name (2,5,6-triaminopyrimidin-4-yl) hydrogen sulfate
Molecular Weight 221.19
Molecular Formula C4H7N5O4S
Canonical SMILES C1(=C(N=C(N=C1OS(=O)(=O)O)N)N)N
InChI InChI=1S/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)
InChIKey DJUGBKWOBAOTFA-UHFFFAOYSA-N
Boiling Point 277 °C at 760 mmHg
Melting Point >300°C
Flash Point 121.3°C
Purity ≥98% (HPLC)
Density 2.033 g/cm3
Appearance Off-white to light yellow (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 289
Exact Mass 221.02187490
PSA 207.05000

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