2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate - CAS 1603-02-7
Catalog: |
BB011619 |
Product Name: |
2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate |
CAS: |
1603-02-7 |
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 |
Description: | 2,5,6-Triamino-4-pyrimidinyl Hydrogen Sulfate (CAS# 1603-02-7) is a compound useful in organic synthesis. |
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) |
InChI Key: | 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 |
MDL: | MFCD00012785 |
LogP: | 1.10040 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.02187490 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.02187490 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 176 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.8 |
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