4-BUTYL PYRIDINE

The Pyridine, 4-butyl-, with CAS registry number 5335-75-1, has the systematic name of 4-butylpyridine. Besides this, it is also called Pyridine, 4-n-butyl. And the chemical formula of this chemical is C₉H₁₃N. Its molecular weight is 135.21.

Physical properties of Pyridine, 4-butyl-: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.213; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 19.809; (6)ACD/BCF (pH 7.4): 83.9; (7)ACD/KOC (pH 5.5): 193.412; (8)ACD/KOC (pH 7.4): 819.183; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 43.159 cm³; (15)Molar Volume: 148.488 cm³; (16)Polarizability: 17.11×10^-24cm³; (17)Surface Tension: 33.633 dyne/cm; (18)Density: 0.911 g/cm³; (19)Flash Point: 81.671 °C; (20)Enthalpy of Vaporization: 42.516 kJ/mol; (21)Boiling Point: 207.001 °C at 760 mmHg; (22)Vapour Pressure: 0.331 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-butyl-1-ethoxycarbonyl-1,4-dihydropyridine. This reaction will need reagent O₂ and solvent neat. The reaction time is 6.5 hour(s). The yield is about 68%.

Uses of Pyridine, 4-butyl-: it can be used to produce 4-butyl-pyridin-2-ylamine. This reaction will need reagents NaNH₂, cumene. The reaction temperature is 150 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCc1ccncc1
(2)InChI: InChI=1/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
(3)InChIKey: LWMDPZVQAMQFOC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h5-8H,2-4H2,1H3
(5)Std. InChIKey: LWMDPZVQAMQFOC-UHFFFAOYSA-N