1-(Isopropyldimethylsilyl)imidazole (81452-04-2)

The 1-(Isopropyldimethylsilyl)imidazole, with the CAS registry number 81452-04-2, is also known as 1H-Imidazole, 1-[dimethyl(1-methylethyl)silyl]-. It belongs to the product categories of Alkyldimethylsilylation (GC Derivatizing Reagents); Analytical Chemistry; GC Derivatizing Reagents; Si (Classes of Silicon Compounds); Silylation (GC Derivatizing Reagents); Silylimidazoles; Si-N Compounds. This chemical's molecular formula is C₈H₁₆N₂Si and formula weight is 168.31. What's more, its systematic name is called 1-[Dimethyl(propan-2-yl)silyl]-1H-imidazole.

Physical properties about this chemical are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 52.272 cm³; (15)Molar Volume: 183.917 cm³; (16)Surface Tension: 23.796 dyne/cm; (17)Density: 0.915 g/cm³; (18)Flash Point: 95.646 °C; (19)Enthalpy of Vaporization: 47.128 kJ/mol; (20)Boiling Point: 234.539 °C at 760 mmHg; (21)Vapour Pressure: 0.053 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[Si](C)(C(C)C)n1ccnc1
(2)InChI: InChI=1/C8H16N2Si/c1-8(2)11(3,4)10-6-5-9-7-10/h5-8H,1-4H3
(3)InChIKey: OCUUDCWEKWOMFA-UHFFFAOYAZ