1-[3-(Trimethoxysilyl)propyl]urea

The (3-(Trimethoxysilyl)propyl)urea, with the CAS registry number 23843-64-3, is also known as Urea, N-[3-(trimethoxysilyl)propyl]-. It belongs to the product categories of Ureido; Chloroalkylsilanes, etc. (Silane Coupling Agents); Functional Materials; Si (Classes of Silicon Compounds); Silane Coupling Agents; Si-O Compounds; Trialkoxysilanes; Ureido Silanes; Organosilicon; Self Assembly & Contact Printing; Self-Assembly Materials; Silanes Organometallic Reagents. Its EINECS registry number is 245-904-8. This chemical's molecular formula is C₇H₁₈N₂O₄Si and molecular weight is 222.31. What's more, its systematic name is called 1-[3-(Trimethoxysilyl)propyl]urea.

Physical properties about (3-(Trimethoxysilyl)propyl)urea are: (1)ACD/LogP: 0.541; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 46.90; (8)ACD/KOC (pH 7.4): 46.90; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 82.81 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 55.592 cm³; (15)Molar Volume: 208.52 cm³; (16)Polarizability: 22.038×10^-24 cm³; (17)Surface Tension: 30.71 dyne/cm; (18)Density: 1.066 g/cm³; (19)Flash Point: 105.744 °C; (20)Enthalpy of Vaporization: 48.854 kJ/mol; (21)Boiling Point: 251.235 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.

Uses of (3-(Trimethoxysilyl)propyl)urea: it is used to produce other chemicals. For example, it can react with N-(2-Hydroxy-butyl)-diethanolamin to get [3-(3-ethyl-2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undec-1-yl)-propyl]-urea. The reaction occurs with reagent KOH and other condition of heating for 8 hours. The yield is 90 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)NCCC[Si](OC)(OC)OC
(2) InChI: InChI=1S/C7H18N2O4Si/c1-11-14(12-2,13-3)6-4-5-9-7(8)10/h4-6H2,1-3H3,(H3,8,9,10)
(3) InChIKey: LVACOMKKELLCHJ-UHFFFAOYSA-N