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13314-67-5

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Basic Information
CAS No.: 13314-67-5
Name: 1-Benzyl-4-(4-methylphenyl)tetrahydropyridine
Article Data: 8
Molecular Structure:
Molecular Structure of 13314-67-5 (1-Benzyl-4-(4-methylphenyl)tetrahydropyridine)
Formula: C19H21 N
Molecular Weight: 263.382
Synonyms: Pyridine,1-benzyl-1,2,3,6-tetrahydro-4-p-tolyl- (6CI,7CI,8CI);pyridine, 1,2,3,6-tetrahydro-4-(4-methylphenyl)-1-(phenylmethyl)-;
Density: 1.063g/cm3
Boiling Point: 391.2 °C at 760 mmHg
Flash Point: 170.5 °C
PSA: 3.24000
LogP: 4.22220
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Specification

The 1-Benzyl-4-(4-methylphenyl)tetrahydropyridine with cas registry number of 13314-67-5, is also Pyridine,1-benzyl-1,2,3,6-tetrahydro-4-p-tolyl- (6CI,7CI,8CI) ; pyridine, 1,2,3,6-tetrahydro-4-(4-methylphenyl)-1-(phenylmethyl)- .

Physical properties of 1-Benzyl-4-(4-methylphenyl)tetrahydropyridine : (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 5.54; (6)ACD/BCF (pH 7.4): 271.47; (7)ACD/KOC (pH 5.5): 27.74; (8)ACD/KOC (pH 7.4): 1359.45; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 84.66 cm3; (15)Molar Volume: 247.5 cm3; (16)Polarizability: 33.56×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Enthalpy of Vaporization: 64.08 kJ/mol; (19)Vapour Pressure: 2.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:(1)SMILES:Cc1ccc(cc1)C\3=C\CN(Cc2ccccc2)CC/3; (2)InChI:InChI=1/C19H21N/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)15-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3; (3)InChIKey:QFBFAIOZZKORIP-UHFFFAOYAG; (4)Std. InChI:InChI=1S/C19H21N/c1-16-7-9-18(10-8-16)19-11-13-20(14-12-19)15-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3; (5)Std. InChIKey:QFBFAIOZZKORIP-UHFFFAOYSA-N.