3-Pyridinecarboxylicacid, 2-butoxyethyl ester (13912-80-6)

The Nicoboxil, with CAS registry number 13912-80-6, has the systematic name of 2-butoxyethyl pyridine-3-carboxylate. And its IUPAC name is the same one. Besides this, it is also called 3-pyridinecarboxylic acid, 2-butoxyethyl ester. And the chemical formula of this chemical is C₁₂H₁₇NO₃. What's more, its EINECS is 237-684-7.

Physical properties of Nicoboxil: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.57; (6)ACD/BCF (pH 7.4): 21.66; (7)ACD/KOC (pH 5.5): 313.31; (8)ACD/KOC (pH 7.4): 314.54; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 61.02 cm³; (15)Molar Volume: 209.4 cm³; (16)Polarizability: 24.19×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Enthalpy of Vaporization: 52.66 kJ/mol; (19)Vapour Pressure: 0.00248 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCOCCCC)c1cccnc1
(2)InChI: InChI=1/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3
(3)InChIKey: IZJRISIINLJVBU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H17NO3/c1-2-3-7-15-8-9-16-12(14)11-5-4-6-13-10-11/h4-6,10H,2-3,7-9H2,1H3
(5)Std. InChIKey: IZJRISIINLJVBU-UHFFFAOYSA-N