1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine supplier

Name
1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine
EINECS
CAS No. 113411-59-9
Article Data7
CAS DataBase
Density 1.094 g/cm³
Solubility
Melting Point
Formula C₁₉H₂₁NO
Boiling Point 416.697 °C at 760 mmHg
Molecular Weight 279.382
Flash Point 122.284 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzyl-4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;
PSA 12.47000
LogP 3.92240

1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine Specification

The 1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine with cas registry number of 113411-59-9, whose systematic name is 1-benzyl-4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine.

Physical properties about this chemical are: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 129; (7)ACD/KOC (pH 5.5): 17; (8)ACD/KOC (pH 7.4): 809; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 86.514 cm³; (15)Molar Volume: 255.291 cm³; (16)Polarizability: 34.297×10^-24cm³; (17)Surface Tension: 43.919 dyne/cm; (18)Enthalpy of Vaporization: 66.997 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:COc3ccccc3C\2=C\CN(Cc1ccccc1)CC/2;
(2)InChI:InChI=1/C19H21NO/c1-21-19-10-6-5-9-18(19)17-11-13-20(14-12-17)15-16-7-3-2-4-8-16/h2-11H,12-15H2,1H3;
(3)InChIKey:XELFGRDOLBWGTB-UHFFFAOYAM;
(4)Std. InChI:InChI=1S/C19H21NO/c1-21-19-10-6-5-9-18(19)17-11-13-20(14-12-17)15-16-7-3-2-4-8-16/h2-11H,12-15H2,1H3; (5)Std. InChIKey:XELFGRDOLBWGTB-UHFFFAOYSA-N

Product Name

1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine

1-Benzyl-4-(2-methoxyphenyl)tetrahydropyridine Specification

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