2-butyl-4-methylpyridine

The CAS register number of Pyridine,2-butyl-4-methyl- is 6304-31-0. It also can be called as 4-Picoline,2-butyl- (6Cl,8Cl) and the systematic name about this chemical is 2-butyl-4-methylpyridine. The molecular formula about this chemical is C₁₀H₁₅N and the molecular weight is 149.2328.

Physical properties about Pyridine,2-butyl-4-methyl- are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 15.05; (5)ACD/BCF (pH 7.4): 150.58; (6)ACD/KOC (pH 5.5): 121.54; (7)ACD/KOC (pH 7.4): 1215.78; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 12.89 Å²; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 47.98 cm³; (13)Molar Volume: 164.7 cm³; (14)Polarizability: 19.02x10^-24cm³; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 0.905 g/cm³; (17)Flash Point: 79.6 °C; (18)Enthalpy of Vaporization: 43.4 kJ/mol; (19)Boiling Point: 216.1 °C at 760 mmHg; (20)Vapour Pressure: 0.209 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2-butyl-4-methyl-2H-pyridine-1-carboxylic acid ethyl ester. This reaction needs anodic oxidation (graphite-rod electrodes). This reaction will need reagent of NaOMe and solvent of methanol. The reaction temperature is 18 °C. The yield is about 31%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1CCCC)C
(2)InChI: InChI=1/C10H15N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8H,3-5H2,1-2H3
(3)InChIKey: UCAKJZWZXQHUMY-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H15N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8H,3-5H2,1-2H3
(5)Std. InChIKey: UCAKJZWZXQHUMY-UHFFFAOYSA-N