Pyridine,4-(bromomethyl)-2,6-bis(1,1-dimethylethyl)- (81142-32-7)

The 4-(Bromomethyl)-2,6-di(tert-butyl)pyridine, with the CAS registry number 81142-32-7, belongs to the following product categories: Pyridine series; Methyl Halides; Pyridines;Methyl Halides. And the molecular formula of the chemical is C₁₄H₂₂BrN.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 876.99; (6)ACD/BCF (pH 7.4): 2568.97; (7)ACD/KOC (pH 5.5): 3254.2; (8)ACD/KOC (pH 7.4): 9532.5; (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: 1.512; (14)Molar Refractivity: 73.76 cm³; (15)Molar Volume: 245.5 cm³; (16)Polarizability: 29.24×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.157 g/cm³; (19)Flash Point: 124.2 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 281.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00595 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)c1cc(CBr)cc(n1)C(C)(C)C
(2)InChI: InChI=1/C14H22BrN/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8H,9H2,1-6H3
(3)InChIKey: KRGQGAXLBUQGQP-UHFFFAOYAC