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| CAS No.: | 32014-70-3 |
|---|---|
| Name: | 5,6-Diamino-2,4-dihydroxypyrimidine sulfate |
| Molecular Structure: | |
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| Formula: | C4H8N4O6S |
| Molecular Weight: | 382.314 |
| Synonyms: | 4,5-DIAMINO-2,6-DIHYDROXYPYRIMIDINE SULFATE;4,5-DIAMINO-2,6-DIHYDROXYPYRIMIDINE SULPHATE;4,5-DIAMINO-2,6-DIHYDROXYPYRIMIDINE;4,5-DIAMINOURACIL SULFATE;5,6-DIAMINOURACIL SULFATE;5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE;5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULFATE;5,6-DIAMINO-2,4-DIHYDROXYPYRIMIDINE SULPHATE |
| EINECS: | 250-899-0 |
| Density: | 1.108g/cm3 |
| Melting Point: | >260 °C (dec.)(lit.) |
| Boiling Point: | 424.7 °C |
| Flash Point: | 778.7 °C at 760 mmHg |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 118.28000 |
| LogP: | 0.21460 |
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Specification
The 5,6-Diamino-2,4-dihydroxypyrimidine sulfate, with the CAS registry number 32014-70-3, is also known as Bis(5,6-diaminouracil) sulphate. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Heterocyclic Compounds. Its EINECS registry number is 250-899-0. This chemical's molecular formula is C4H8N4O6S and molecular weight is 240.19. What's more, its systematic name is called 5,6-Diamino-2,4(1H,3H)-pyrimidinedione sulfate (1:1). It should be stored in a cool, dry and well-ventilated place.
Physical properties about 5,6-Diamino-2,4-dihydroxypyrimidine sulfate are: (1)ACD/LogP: -2.795; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 47.1 Å2; (7)Flash Point: 424.7 °C; (8)Enthalpy of Vaporization: 118.86 kJ/mol; (9)Boiling Point: 778.7 °C at 760 mmHg; (10)Vapour Pressure: 1.59E-25 mmHg at 25 °C.
Preparation of 5,6-Diamino-2,4-dihydroxypyrimidine sulfate: this chemical can be prepared by 6-amino-5-nitroso-1H-pyrimidine-2,4-dione. The reaction occurs with reagents Na2S2O4, H2SO4, solvent H2O and other condition of heating for 1 hour. The yield is 70 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NC(/N)=C(/N)C(=O)N1.O=S(=O)(O)O
(2) InChI: InChI=1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)
(3) InChIKey: IKARJSDZQCSEJX-UHFFFAOYSA-N