The N-(3-Nitrophenyl)piperidine-4-carboxamide with the CAS number 883106-61-4 is also called 4-Piperidinecarboxamide,N-(3-nitrophenyl)-.Its molecular formula is C12H15N3O5. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 86.95 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 66.7 cm3; (13)Molar Volume: 192.9 cm3; (14)Polarizability: 26.44×10-24cm3; (15)Surface Tension: 57.5 dyne/cm; (16)Enthalpy of Vaporization: 73.41 kJ/mol; (17)Vapour Pressure: 4.68E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)[N+](=O)[O-])NC(=O)C2CCNCC2
(2)InChI: InChI=1/C12H15N3O3/c16-12(9-4-6-13-7-5-9)14-10-2-1-3-11(8-10)15(17)18/h1-3,8-9,13H,4-7H2,(H,14,16)
(3)InChIKey: HLRYJHHLEXGRTC-UHFFFAOYAH
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