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CAS No.: | 35549-47-4 |
---|---|
Name: | 2-Cyanoethylpyridine |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C8H8N2 |
Molecular Weight: | 132.165 |
Synonyms: | 3-(2-Pyridyl)propionitrile;2-Cyanoethylpyridine; |
Density: | 1.054 g/cm3 |
Boiling Point: | 277.059 °C at 760 mmHg |
Flash Point: | 103.96 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 36.68000 |
LogP: | 1.53778 |
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The 2-Cyanoethylpyridine with the CAS number 35549-47-4 is also called 2-Pyridinepropanenitrile. The IUPAC name is 3-pyridin-2-ylpropanenitrile. Its molecular formula is C8H8N2. This chemical is irritant. While using this chemical, you should be very cautious. It should be stored in dry and cool environment.
The properties of the 2-Cyanoethylpyridine are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 38.44 cm3; (15)Molar Volume: 125.364 cm3; (16)Polarizability: 15.239×10-24cm3; (17)Surface Tension: 45.782 dyne/cm; (18)Enthalpy of Vaporization: 51.56 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCc1ccccn1
(2)InChI: InChI=1/C8H8N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5H2
(3)InChIKey: KWGZNYCFTYOQHV-UHFFFAOYAF