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CAS No.: | 6627-61-8 |
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Name: | (4,6-Dihydroxypyrimidin-2-yl)cyanamide |
Molecular Structure: | |
Formula: | C5H4N4O2 |
Molecular Weight: | 152.1109 |
Synonyms: | (4-Hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)cyanamide; |
Density: | 1.69 g/cm3 |
Boiling Point: | 360.6 °C at 760 mmHg |
Flash Point: | 171.9 °C |
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The (4, 6-Dihydroxypyrimidin-2-yl)cyanamide, with the CAS registry number 6627-61-8, is also known as (4-Hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)cyanamide. This chemical's molecular formula is C5H4N4O2 and molecular weight is 152.1109. What's more, its IUPAC name is (4-Hydroxy-6-oxo-1H-pyrimidin-2-yl)cyanamide.
Physical properties about (4, 6-Dihydroxypyrimidin-2-yl)cyanamide are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 68.93 Å2; (11)Index of Refraction: 1.728; (12)Molar Refractivity: 35.81 cm3; (13)Molar Volume: 89.9 cm3; (14)Polarizability: 14.19×10-24 cm3; (15)Surface Tension: 81.7 dyne/cm; (16)Density: 1.69 g/cm3; (17)Flash Point: 171.9 °C; (18)Enthalpy of Vaporization: 70.19 kJ/mol; (19)Boiling Point: 360.6 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CN\C1=N\C(\O)=C/C(=O)N1
(2) InChI: InChI=1/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H,(H3,7,8,9,10,11)
(3) InChIKey: SPAJGBOXQITFMS-UHFFFAOYAJ