Piperazine,1-(2-methylphenyl)-4-[3-(2-pyridinyloxy)propyl]- (54063-58-0)

The CAS register number of Toprilidine is 54063-58-0. It also can be called as Piperazine,1-(2-methylphenyl)-4-[3-(2-pyridinyloxy)propyl]- and the IUPAC name about this chemical is 1-(2-methylphenyl)-4-(3-pyridin-2-yloxypropyl)piperazine. The molecular formula about this chemical is C₁₉H₂₅N₃O and the molecular weight is 311.42.

Physical properties about Toprilidine are: (1)ACD/LogP: 3.70; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 3.6; (4)ACD/BCF (pH 5.5): 17.75; (5)ACD/BCF (pH 7.4): 303.32; (6)ACD/KOC (pH 5.5): 114.03; (7)ACD/KOC (pH 7.4): 1948.52; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 28.6Ų; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 93.14 cm³; (13)Molar Volume: 284.7 cm³; (14)Polarizability: 36.92x10^-24cm³; (15)Surface Tension: 44.4 dyne/cm; (16)Enthalpy of Vaporization: 72.58 kJ/mol; (17)Boiling Point: 464.4 °C at 760 mmHg; (18)Vapour Pressure: 8.38E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1OCCCN3CCN(c2ccccc2C)CC3
(2)InChI: InChI=1/C19H25N3O/c1-17-7-2-3-8-18(17)22-14-12-21(13-15-22)11-6-16-23-19-9-4-5-10-20-19/h2-5,7-10H,6,11-16H2,1H3
(3)InChIKey: CRXVPWCHOPXHMN-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C19H25N3O/c1-17-7-2-3-8-18(17)22-14-12-21(13-15-22)11-6-16-23-19-9-4-5-10-20-19/h2-5,7-10H,6,11-16H2,1H3
(5)Std. InChIKey: CRXVPWCHOPXHMN-UHFFFAOYSA-N