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CAS No.: | 26103-49-1 |
---|---|
Name: | 3-(Piperidin-1-ylsulphonyl)pyridine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H14N2O2S |
Molecular Weight: | 226.299 |
Synonyms: | Piperidine,1-(3-pyridinylsulfonyl)- (9CI);Piperidine, 1-(3-pyridylsulfonyl)- (8CI); |
Density: | 1.271 g/cm3 |
Melting Point: | 88-89 °C |
Boiling Point: | 381.3 °C at 760 mmHg |
Flash Point: | 184.4 °C |
Hazard Symbols: | Xi |
PSA: | 58.65000 |
LogP: | 2.27490 |
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The Pyridine,3-(1-piperidinylsulfonyl)-, with the CAS registry number 26103-49-1, is also known as 1-(Pyridin-3-ylsulphonyl)piperidine. It belongs to the product categories of Blocks; Pyridines; Sulfonamides. This chemical's molecular formula is C10H14N2O2S and molecular weight is 226.29536. What's more, its systematic name is 3-(Piperidin-1-ylsulfonyl)pyridine.
Physical properties about Pyridine,3-(1-piperidinylsulfonyl) are: (1)ACD/LogP: 1.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.33; (6)ACD/BCF (pH 7.4): 5.35; (7)ACD/KOC (pH 5.5): 115.18; (8)ACD/KOC (pH 7.4): 115.61; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.65 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 58.36 cm3; (15)Molar Volume: 178 cm3; (16)Polarizability: 23.13×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.271 g/cm3; (19)Flash Point: 184.4 °C; (20)Enthalpy of Vaporization: 62.95 kJ/mol; (21)Boiling Point: 381.3 °C at 760 mmHg; (22) Vapour Pressure: 5.13E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cccnc1)N2CCCCC2
(2) InChI: InChI=1/C10H14N2O2S/c13-15(14,10-5-4-6-11-9-10)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
(3) InChIKey: YVNUZIJEPPTRCL-UHFFFAOYAG