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CAS No.: | 886531-62-0 |
---|---|
Name: | 5-(Hydroxymethyl)-2-phenylpyrimidine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C11H10N2O |
Molecular Weight: | 186.213 |
Synonyms: | (2-Phenylpyrimidin-5-yl)methanol; |
Density: | 1.201 g/cm3 |
Melting Point: | 111-113 °C |
Boiling Point: | 269.9 °C at 760 mmHg |
Flash Point: | 117 °C |
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The 5-(Hydroxymethyl)-2-phenylpyrimidine, with the CAS registry number 886531-62-0, is also known as (2-Phenylpyrimidin-5-yl)methanol. This chemical's molecular formula is C11H10N2O and molecular weight is 186.21. Its systematic name is called (2-phenylpyrimidin-5-yl)methanol.
Physical properties of 5-(Hydroxymethyl)-2-phenylpyrimidine: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.27; (6)ACD/BCF (pH 7.4): 4.27; (7)ACD/KOC (pH 5.5): 98.34; (8)ACD/KOC (pH 7.4): 98.34; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.606; (13)Molar Refractivity: 53.47 cm3; (14)Molar Volume: 154.9 cm3; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.201 g/cm3; (17)Flash Point: 117 °C; (18)Enthalpy of Vaporization: 53.67 kJ/mol; (19)Boiling Point: 269.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00348 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cnc(nc1)c2ccccc2
(2)InChI: InChI=1/C11H10N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-7,14H,8H2
(3)InChIKey: DJEBODXMCJKLPH-UHFFFAOYAO