The 2,4-Dinitrophenol; piperidine is an organic compound with the formula C11H15N3O5. The IUPAC name of this chemical is 2,4-dinitrophenol; piperidine. With the CAS registry number 42824-45-3, it is also named as 2,4-dinitrophenol - piperidine (1:1).
Physical properties about 2,4-Dinitrophenol; piperidine are: (1)ACD/LogP: 1.74; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 100.87 Å2; (6)Flash Point: 142.8 °C; (7)Enthalpy of Vaporization: 57.51 kJ/mol; (8)Boiling Point: 312.1 °C at 760 mmHg; (9)Vapour Pressure: 0.000294 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(c(O)cc1)[N+]([O-])=O.N1CCCCC1
(2)InChI: InChI=1/C6H4N2O5.C5H11N/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-2-4-6-5-3-1/h1-3,9H;6H,1-5H2
(3)InChIKey: NYLSCZHQQDVOET-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H4N2O5.C5H11N/c9-6-2-1-4(7(10)11)3-5(6)8(12)13;1-2-4-6-5-3-1/h1-3,9H;6H,1-5H2
(5)Std. InChIKey: NYLSCZHQQDVOET-UHFFFAOYSA-N
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