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CAS No.: | 84200-06-6 |
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Name: | 4-Pyridinepropanenitrile |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H8N2 |
Molecular Weight: | 132.165 |
Synonyms: | 3-(Pyridine-4-yl)propanenitrile; |
Density: | 1.054 g/cm3 |
Boiling Point: | 302.5 °C at 760 mmHg |
Flash Point: | 110.3 °C |
PSA: | 36.68000 |
LogP: | 1.53778 |
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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) Surface Tension: 45.7 dyne/cm; (12) Density: 1.054 g/cm3; (13) Flash Point: 110.3 °C; (14) Enthalpy of Vaporization: 54.27 kJ/mol; (15) Boiling Point: 302.5 °C at 760 mmHg; (16) 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