TETRAMETHYLUREA-D12

The Urea, tetra(methyl-d3)-(9CI), with the CAS registry number 51219-89-7 and EINECS registry number 257-062-9, has the systematic name of 1,1,3,3-tetramethylurea. It is a kind of clear colorless liquid, and the molecular formula of the chemical is C₅H₁₂N₂O.

The characteristics of Urea, tetra(methyl-d3)-(9CI) are as followings: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.19; (4)ACD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.22; (8)ACD/KOC (pH 7.4): 30.22; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 32.68 cm³; (15)Molar Volume: 122.6 cm³; (16)Polarizability: 12.95×10^-24cm³; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 53.9 °C; (20)Enthalpy of Vaporization: 41.15 kJ/mol; (21)Boiling Point: 175.2 °C at 760 mmHg; (22)Vapour Pressure: 1.16 mmHg at 25°C. 

Uses of Urea, tetra(methyl-d3)-(9CI): It can react with trideuterio-iodo-methane to produce tetrakis-trideuteriomethyl-urea. This reaction will need reagent KOH, and the menstruum dimethylsulfoxide. The reaction time is 1 hour, and the yield is about 32%. 

You should be cautious while dealing with this chemical. It may cause harm to the unborn child. Therefore, you had better take the following instructions: Avoid exposure - obtain special instruction before use, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N(C)C)N(C)C
(2)InChI: InChI=1/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
(3)InChIKey: AVQQQNCBBIEMEU-UHFFFAOYAZ