4-Triethoxysilylaniline

The 4-Triethoxysilylaniline, with CAS registry number 7003-80-7, has the systematic name of 4-(triethoxysilyl)aniline. Besides this, it is also called P-Aminophenyl triethoxysilane. And the chemical formula of this chemical is C₁₂H₂₁NO₃Si.

Physical properties of 4-Triethoxysilylaniline: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 196; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 53.71 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 72.129 cm³; (15)Molar Volume: 246.352 cm³; (16)Polarizability: 28.594×10^-24cm³; (17)Surface Tension: 33.583 dyne/cm; (18)Density: 1.037 g/cm³; (19)Flash Point: 132.897 °C; (20)Enthalpy of Vaporization: 53.589 kJ/mol; (21)Boiling Point: 296.133 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Triethoxysilylaniline irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)[Si](OCC)(OCC)c1ccc(cc1)N
(2)InChI: InChI=1/C12H21NO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3
(3)InChIKey: TVTRDGVFIXILMY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C12H21NO3Si/c1-4-14-17(15-5-2,16-6-3)12-9-7-11(13)8-10-12/h7-10H,4-6,13H2,1-3H3
(5)Std. InChIKey: TVTRDGVFIXILMY-UHFFFAOYSA-N