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| CAS No.: | 6640-23-9 |
|---|---|
| Name: | 4,5,6-Triaminopyrimidine sulfate |
| Molecular Structure: | |
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|
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| Formula: | C4H11N5O5S |
| Molecular Weight: | 241.23 |
| Synonyms: | 4,5,6-Triaminepyrimidine sulfate hydrate;4,5,6-Triaminopyrimidine sulfate hydrate;Pyrimidine, 4,5,6-triamino-, sulfate, hydrate;pyrimidine-4,5,6-triamine; sulfuric acid; hydrate; |
| EINECS: | 256-446-3 |
| Melting Point: | > 300 °C(lit.) |
| Boiling Point: | 406.2 °C at 760 mmHg |
| Flash Point: | 228.5 °C |
| Appearance: | light yellow crystalline powder or needles |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-37/39 |
| PSA: | 186.82000 |
| LogP: | 1.39480 |
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Specification
The CAS register number of 4,5,6-Triaminopyrimidine sulfate is 6640-23-9. It also can be called as Pyrimidine, 4,5,6-triamino-, sulfate, hydrate and the systematic name about this chemical is pyrimidine-4,5,6-triamine sulfate hydrate (1:1:1). The molecular formula about this chemical is C4H11N5O5S and the molecular weight is 241.23. It belongs to the following product categories which include Pyridines, Pyrimidines, Purines and Pteredines; Miscellaneous Reagents and so on.
Physical properties about 4,5,6-Triaminopyrimidine sulfate are: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 35.5 Å2; (7)Flash Point: 228.5 °C; (8)Enthalpy of Vaporization: 65.79 kJ/mol; (9)Boiling Point: 406.2 °C at 760 mmHg; (10)Vapour Pressure: 8.28E-07 mmHg at 25 °C.
Uses of 4,5,6-Triaminopyrimidine sulfate: it can be used to produce 2,5-anhydro-3-deoxy-N-(4',6'-diaminopyrimidin-5'yl)-D-ribo-hexonamide with 2,5-anhydro-4-O-benzyl-3-deoxy-D-ribo-hexonic acid. This reaction will need solvent aq. HCl. The reaction time is 16 hours with reaction temperature of 95 °C. The yield is about 70%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. If you want to use this chemical, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.n1c(N)c(N)c(nc1)N.O
(2)InChI: InChI=1/C4H7N5.H2O4S.H2O/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4;/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4);1H2
(3)InChIKey: WRXLIMZODSSQIH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C4H7N5.H2O4S.H2O/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4;/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4);1H2
(5)Std. InChIKey: WRXLIMZODSSQIH-UHFFFAOYSA-N