N-[3-(TRIETHOXYSILYL)PROPYL]-4,5-DIHYDROIMIDAZOLE

The 1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]-, with the CAS registry number 58068-97-6, is also known as 4,5-Dihydro-1-(3-(triethoxysilyl)propyl)-1H-imidazole. It belongs to the product category of Heterocyclic Compounds. Its EINECS number is 261-093-3. This chemical's molecular formula is C₁₂H₂₆N₂O₃Si and molecular weight is 274.43. What's more, its systematic name is 1-[3-(triethoxysilyl)propyl]-4,5-dihydro-1H-imidazole.

Physical properties of 1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 43.29 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 75.06 cm³; (15)Molar Volume: 268.9 cm³; (16)Polarizability: 29.75×10^-24cm³; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 1.02 g/cm³; (19)Flash Point: 140.8 °C; (20)Enthalpy of Vaporization: 55 kJ/mol; (21)Boiling Point: 309.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000646 mmHg at 25°C.

Uses of 1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]-: it can be used to produce 1-[3-(4,5-dihydro-imidazol-1-yl)-propyl]-3-ethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecane when it is heated. It will need reagent KOH and solvent toluene with the reaction time of 2 hours. The yield is about 85.8%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O([Si](OCC)(OCC)CCCN1\C=N/CC1)CC
(2)Std. InChI: InChI=1S/C12H26N2O3Si/c1-4-15-18(16-5-2,17-6-3)11-7-9-14-10-8-13-12-14/h12H,4-11H2,1-3H3
(3)Std. InChIKey: WBUSESIMOZDSHU-UHFFFAOYSA-N