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Pyridine,4-methyl-2-phenyl- (3475-21-6)

Identification
Name:Pyridine,4-methyl-2-phenyl-
Synonyms:4-Picoline,2-phenyl- (6CI,7CI,8CI);2-Phenyl-4-methylpyridine;2-Phenyl-4-picoline;4-Methyl-2-phenylpyridine;
CAS:3475-21-6
EINECS: 222-448-8
Molecular Formula: C12H11N
Molecular Weight: 169.23
InChI: InChI=1/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3
Molecular Structure: (C12H11N) 4-Picoline,2-phenyl- (6CI,7CI,8CI);2-Phenyl-4-methylpyridine;2-Phenyl-4-picoline;4-Methyl-2-phenylpy...
Properties
Density:1.03 g/cm3
Refractive index:1.568
Specification:

The 4-Methyl-2-phenylpyridine with cas registry number of 3475-21-6, belongs to the following product categories: API intermediates. Its systematic name and its IUPAC name are the same, which is 4-methyl-2-phenylpyridine. Besides this, it is also named pyridine, 4-methyl-2-phenyl-.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 96.41; (6)ACD/BCF (pH 7.4): 130.76; (7)ACD/KOC (pH 5.5): 838.83; (8)ACD/KOC (pH 7.4): 1137.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 53.76 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 21.31×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Enthalpy of Vaporization: 50.24 kJ/mol; (19)Vapour Pressure: 0.0051 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: n1ccc(cc1c2ccccc2)C;
(2)InChI: InChI=1/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3;
(3)InChIKey: WWMRJCUZPJJWBC-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3;
(5)Std. InChIKey: WWMRJCUZPJJWBC-UHFFFAOYSA-N

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