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CAS No.: | 217189-04-3 |
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Name: | (4-PYRID-3-YLPHENYL)METHANOL |
Molecular Structure: | |
Formula: | C12H11NO |
Molecular Weight: | 185.225 |
Synonyms: | (4-Pyridin-3-ylphenyl)methanol;4-(3-Pyridinyl)benzenemethanol;4-(Pyridin-3-yl)benzyl alcohol; |
Density: | 1.145g/cm3 |
Melting Point: | 105.5-107.5°C |
Boiling Point: | 363.9 °C at 760 mmHg |
Flash Point: | 173.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 33.12000 |
LogP: | 2.24090 |
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The Benzenemethanol,4-(3-pyridinyl)-, with CAS registry number 217189-04-3, belongs to the following product category: Pharmacetical. It has the systematic name of [4-(pyridin-3-yl)phenyl]methanol. Besides this, it is also called (4-Pyrid-3-ylphenyl)methanol. And the chemical formula of this chemical is C12H11NO.
Physical properties of Benzenemethanol,4-(3-pyridinyl)-: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 6.37; (6)ACD/BCF (pH 7.4): 7.78; (7)ACD/KOC (pH 5.5): 123.77; (8)ACD/KOC (pH 7.4): 150.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 55.38 cm3; (15)Molar Volume: 161.7 cm3; (16)Polarizability: 21.95×10-24cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.145 g/cm3; (19)Flash Point: 173.9 °C; (20)Enthalpy of Vaporization: 64.36 kJ/mol; (21)Boiling Point: 363.9 °C at 760 mmHg; (22)Vapour Pressure: 6.19E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCc2ccc(c1cccnc1)cc2
(2)InChI: InChI=1/C12H11NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-8,14H,9H2
(3)InChIKey: ZHIJCVCCKVZBHE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H11NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-8,14H,9H2
(5)Std. InChIKey: ZHIJCVCCKVZBHE-UHFFFAOYSA-N