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Cas Database |
| Name |
1-Benzyl-4-(4-methylphenyl)tetrahydropyridine |
EINECS | N/A |
| CAS No. | 13314-67-5 | Density | 1.063g/cm3 |
| PSA | 3.24000 | LogP | 4.22220 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H21 N | Boiling Point | 391.2 °C at 760 mmHg |
| Molecular Weight | 263.382 | Flash Point | 170.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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)-; |
Article Data | 8 |
1-Benzyl-4-(4-methylphenyl)tetrahydropyridine 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.
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