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CAS No.: | 64268-93-5 |
---|---|
Name: | 1-[(4-NITROPHENYL)SULFONYL]PIPERIDINE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C11H14N2O4S |
Molecular Weight: | 270.309 |
Synonyms: | 1-(4-Nitrobenzenesulfonyl)piperidine; |
Density: | 1.374 g/cm3 |
Melting Point: | 166 °C |
Boiling Point: | 435.9 °C at 760 mmHg |
Flash Point: | 217.4 °C |
PSA: | 91.58000 |
LogP: | 3.31130 |
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The Piperidine,1-[(4-nitrophenyl)sulfonyl]-, with the CAS registry number 64268-93-5, has the molecular formula C11H14N2O4S. In addition, its molecular weight is 270.3. Its systematic name is called 1-[(4-nitrophenyl)sulfonyl]piperidine.
Physical properties of Piperidine,1-[(4-nitrophenyl)sulfonyl]-: (1)ACD/LogP: 2.55; (2)#H bond acceptors: 6; (3)#H bond donors: 0; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.592; (6)Molar Refractivity: 66.59 cm3; (7)Molar Volume: 196.6 cm3; (8)Surface Tension: 55.8 dyne/cm; (9)Density: 1.374 g/cm3; (10)Flash Point: 217.4 °C; (11)Enthalpy of Vaporization: 69.23 kJ/mol; (12)Boiling Point: 435.9 °C at 760 mmHg; (13)Vapour Pressure: 8.43E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc([N+]([O-])=O)cc1)N2CCCCC2
(2)InChI: InChI=1/C11H14N2O4S/c14-13(15)10-4-6-11(7-5-10)18(16,17)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2
(3)InChIKey: XDPAFNJUKBYWBZ-UHFFFAOYAQ