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| CAS No.: | 412003-95-3 |
|---|---|
| Name: | 5-Pyrimidinol, 2,4-dimethyl- (9CI) |
| Molecular Structure: | |
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| Formula: | C6H8N2O |
| Molecular Weight: | 124.14 |
| Synonyms: | 2,4-dimethylpyrimidin-5-ol |
| Density: | 1.162 g/cm3 |
| Boiling Point: | 219.737 °C at 760 mmHg |
| Flash Point: | 86.694 °C |
| PSA: | 46.01000 |
| LogP: | 0.79900 |
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Specification
The 5-Pyrimidinol,2,4-dimethyl-, with the CAS registry number 412003-95-3, belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14. What's more, its systematic name is called 2,4-Dimethyl-5-pyrimidinol.
Physical properties about 5-Pyrimidinol,2,4-dimethyl- are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 22.74; (8)ACD/KOC (pH 7.4): 4.96; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 33.967 cm3;(15)Molar Volume: 106.861 cm3; (16) Polarizability: 13.466×10-24cm3; (17)Surface Tension: 51.216 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 86.694 °C; (20)Enthalpy of Vaporization: 47.472 kJ/mol; (21)Boiling Point: 219.737 °C at 760 mmHg; (22)Vapour Pressure: 0.079 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(cnc(n1)C)O
(2) InChI: InChI=1S/C6H8N2O/c1-4-6(9)3-7-5(2)8-4/h3,9H,1-2H3
(3) InChIKey: NJRAXBYJSOFRQV-UHFFFAOYSA-N