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58470-85-2

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Basic Information
CAS No.: 58470-85-2
Name: 2,4-DIAMINO-6-HYDROXYPYRIMIDINE SULFATE
Molecular Structure:
Molecular Structure of 58470-85-2 (2,4-DIAMINO-6-HYDROXYPYRIMIDINE SULFATE)
Formula: C4H8N4O5S
Molecular Weight: 224.1951
Synonyms: 4(1H)-Pyrimidinone, 2,6-diamino-;41982-31-4;2,4-Diamino-6-hydroxypyrimidine sulfate;4(1H)-Pyrimidinone, 2,6-diamino-, sulfate (1:1);2,6-diamino-1H-pyrimidin-4-one; sulfuric acid;40306-60-3;4(1H)-Pyrimidinone, 2,6-diamino-, sulfate;56-06-4;4-Oxo-1H-pyrimidin-2,6-diamino-4(1H)-pyrimidinone;
EINECS: 261-271-0
Density: 1.84g/cm3
Melting Point: 305-312°C
Boiling Point: 288.5 °C at 760 mmHg
Flash Point: 128.3 °C
Appearance: Yellow Solid
PSA: 181.03000
LogP: 0.93700
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Specification

The 2,4-Diaminohypoxanthine, with CAS registry number 58470-85-2, belongs to the following product categories: (1)Nucleotides and Nucleosides; (2)Bases & Related Reagents; (3)Nucleotides; (4)Sulfur & Selenium Compounds. It has the systematic name of 2,6-diaminopyrimidin-4(1H)-one sulfate (1:1). This chemical is a kind of yellow solid. What's more, its EINECS is 261-271-0.

Physical properties of 2,4-Diaminohypoxanthine: (1)ACD/LogP: -1.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.95; (8)ACD/KOC (pH 7.4): 2.98; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.15 Å2; (13)Flash Point: 128.3 °C; (14)Enthalpy of Vaporization: 52.78 kJ/mol; (15)Boiling Point: 288.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00232 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1/N=C(/N)NC(\N)=C\1.O=S(=O)(O)O
(2)InChI: InChI=1/C4H6N4O.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
(3)InChIKey: SLSWVEQLCOSOTJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H6N4O.H2O4S/c5-2-1-3(9)8-4(6)7-2;1-5(2,3)4/h1H,(H5,5,6,7,8,9);(H2,1,2,3,4)
(5)Std. InChIKey: SLSWVEQLCOSOTJ-UHFFFAOYSA-N