Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate

The Isobutyl 1,2-dihydro-2-isobutoxy-1-quinoline-carboxylate with the CAS number 38428-14-7 is also called 1(2H)-Quinolinecarboxylicacid, 2-(2-methylpropoxy)-, 2-methylpropyl ester. The IUPAC name is 2-methylpropyl 2-(2-methylpropoxy)-2H-quinoline-1-carboxylate. Its EINECS registry number is 253-925-9. The molecular formula is C₁₈H₂₅NO₃. The product category is Coupling Reagent.

The properties of the chemical are: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2364.91; (6)ACD/BCF (pH 7.4): 2364.91; (7)ACD/KOC (pH 5.5): 9048.42; (8)ACD/KOC (pH 7.4): 9048.42; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 38.77Ų; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 87.58 cm³; (15)Molar Volume: 278.4 cm³; (16)Polarizability: 34.72×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Enthalpy of Vaporization: 62.57 kJ/mol; (19)Vapour Pressure: 6.53×10^-6 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe vapour.Then you should wear suitable gloves and eye/face protection. Finally in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)C)N2c1ccccc1\C=C/C2OCC(C)C
(2)InChI: InChI=1/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3
(3)InChIKey: LPBHYOYZZIFCQT-UHFFFAOYAD