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CAS No.: | 887418-66-8 |
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Name: | 3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole |
Molecular Structure: | |
Formula: | C19H18F3N3 |
Molecular Weight: | 345.36 |
Synonyms: | 3-[1-[5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-PIPERIDINYL]-1H-INDOLE;HMS524M21;4-(1H-indol-3-yl)-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2]-bipyridinyl; |
Density: | 1.302 g/cm3 |
Boiling Point: | 517.4 °C at 760 mmHg |
Flash Point: | 266.7 °C |
PSA: | 31.92000 |
LogP: | 5.03070 |
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The 3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole ,its cas register number is 887418-66-8.The Systematic name about this chemicals is 3-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}-1H-indole .Following are the physical and chemical properties about it: (1)#H bond acceptors: 3 (2)#H bond donors: 1 (3)#Freely Rotating Bonds: 2 (4)Index of Refraction: 1.601 (5)Molar Refractivity: 90.86 cm3 (6)Molar Volume: 265 cm3 (7)Surface Tension: 47.6 dyne/cm (8)Enthalpy of Vaporization: 78.97 kJ/mol (9)Vapour Pressure: 8.26E-11 mmHg at 25 °C .
This chemicals can be described computed from structure:
(1)SMILES: FC(F)(F)c1cnc(cc1)N4CCC(c3c2ccccc2nc3)CC4
(2)InChI: InChI=1/C19H18F3N3/c20-19(21,22)14-5-6-18(24-11-14)25-9-7-13(8-10-25)16-12-23-17-4-2-1-3-15(16)17/h1-6,11-13,23H,7-10H2
(3)InChIKey: YXADJOACMVHNAM-UHFFFAOYAD