4-Pyridinepropanenitrile (84200-06-6)

The 4-Pyridinepropanenitrile, with the CAS registry number 84200-06-6, is also known as 3-(Pyridine-4-yl)propanenitrile. This chemical's molecular formula is C₈H₈N₂ and molecular weight is 132.16. What's more, both its systematic name is called 3-Pyridin-4-ylpropanenitrile.

Physical properties about 4-Pyridinepropanenitrile are: (1) ACD/LogP: 0.23; (2) # of Rule of 5 Violations: 0; (3) H bond acceptors: 2; (5) #H bond donors: 0; (6) #Freely Rotating Bonds: 2; (7) Polar Surface Area: 36.68 Å²; (8) Index of Refraction: 1.525; (9) Molar Refractivity: 38.43 cm³; (10) Molar Volume: 125.3 cm³; (11) Polarizability: 15.23 10-24cm³; (12) Surface Tension: 45.7 dyne/cm; (13) Density: 1.054 g/cm³; (14) Flash Point: 110.3 °C; (15) Enthalpy of Vaporization: 54.27 kJ/mol; (16) Boiling Point: 302.5 °C at 760 mmHg; (17) Vapour Pressure: 0.000988 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CCCc1ccncc1
(2) InChI: InChI=1/C8H8N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2H2
(3) InChIKey: FOQHYGAZLSGRAC-UHFFFAOYAA