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1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]-

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Name

1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]-

EINECS 261-093-3
CAS No. 58068-97-6 Density 1.02 g/cm3
PSA 43.29000 LogP 1.14230
Solubility N/A Melting Point <0°C
Formula C12H26N2O3Si Boiling Point 309.3 °C at 760 mmHg
Molecular Weight 274.436 Flash Point 140.8 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 58068-97-6 (N-[3-(TRIETHOXYSILYL)PROPYL]-4,5-DIHYDROIMIDAZOLE) Hazard Symbols IrritantXi
Synonyms

4,5-Dihydro-1-(3-(triethoxysilyl)propyl)-1H-imidazole;N-(3-Triethoxysilylpropyl)-4,5-dihydroimidazole;1-(3-Triethoxysilylpropyl)-2-imidazoline;1-[3-(Triethoxysilyl)propyl]-4,5-dihydro-1H-imidazol;3-(2-Imidazolin-1-yl)propyltriethoxysilane;

 

1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]- Specification

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%.

1H-Imidazole,4,5-dihydro-1-[3-(triethoxysilyl)propyl]- 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

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

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