Basic Information | Post buying leads | Suppliers |
Name |
Benzenemethanol,4-(3-pyridinyl)- |
EINECS | N/A |
CAS No. | 217189-04-3 | Density | 1.145g/cm3 |
PSA | 33.12000 | LogP | 2.24090 |
Solubility | N/A | Melting Point |
105.5-107.5°C |
Formula | C12H11NO | Boiling Point | 363.9 °C at 760 mmHg |
Molecular Weight | 185.225 | Flash Point | 173.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
(4-Pyridin-3-ylphenyl)methanol;4-(3-Pyridinyl)benzenemethanol;4-(Pyridin-3-yl)benzyl alcohol; |
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