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CAS No.: | 581-45-3 |
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Name: | 1,2,3,4,5,6-HEXAHYDRO-[4,4']BIPYRIDINYL |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C10H14N2 |
Molecular Weight: | 162.235 |
Synonyms: | 4-(4'-Piperidyl)pyridine;4-(4-Pyridyl)piperidine;4-(4-Pyridinyl)piperidine;4-(4-Piperidinyl)pyridine;1,2,3,4,5,6-Hexahydro-[4,4']bipyridinyl;Piperidine,4-(4-pyridyl)- (8CI); |
Density: | 1.014 g/cm3 |
Melting Point: | 86-88 °C |
Boiling Point: | 292 °C at 760 mmHg |
Flash Point: | 120.4 °C |
Hazard Symbols: | T, Xi |
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The Pyridine, 4-(4-piperidinyl)-, with the CAS registry number of 581-45-3, is also known as 4-(4-Piperidinyl)pyridine. This chemical's molecular formula is C10H14N2 and molecular weight is 162.23. What's more, its IUPAC name is 4-Piperidin-4-ylpyridine.
Physical properties about Pyridine, 4-(4-piperidinyl)- are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.44; (4)ACD/LogD (pH 7.4): -1.88; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 48.94 cm3; (15)Molar Volume: 159.8 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.014 g/cm3; (18)Flash Point: 120.4 °C; (19)Enthalpy of Vaporization: 53.15 kJ/mol; (20)Boiling Point: 292 °C at 760 mmHg; (21)Vapour Pressure: 0.00188 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1ccc(cc1)C2CCNCC2
(2) InChI: InChI=1/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2
(3) InChIKey: RGBWBVGQZFJTEO-UHFFFAOYAN