Urea, N,N'-diethyl-

The Urea, N, N'-diethyl-, with the CAS registry number of 623-76-7, is also known as 1, 3-Diethyl-ure. It belongs to the product categories of Carbonyl Compounds; Organic Building Blocks; Ureas. Its EINECS registry number is 210-811-3. This chemical's molecular formula is C₅H₁₂N₂O and molecular weight is 116.16. What's more, its IUPAC name is 1, 3-Diethylurea. This chemical's classification code is Mutation data. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant, alkali, ignition source.

Physical properties about Urea, N, N'-diethyl- are: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.05; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.28; (8)ACD/KOC (pH 7.4): 25.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 32.43 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 12.85×10^-24 cm³; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.923 g/cm³; (19)Flash Point: 121.1 °C; (20)Enthalpy of Vaporization: 50.08 kJ/mol; (21)Boiling Point: 263 °C at 760 mmHg; (22)Vapour Pressure: 0.0106 mmHg at 25 °C; (23)Melting Point: 112-113 °C(lit. ).

Preparation: this chemical is prepared by Isocyanatoethane. The reaction needs reagent H₂ and solvent Tetrahydrofuran. The reaction time is 40 hours with reaction temperature of 120 °C. The yield is about 41 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 1, 3-Diethyl-4-hydroxy-2, 5-dioxo-imidazolidine-4-carboxylic acid carbamoylamide. This reaction needs solvent H₂O. The reaction temperature is 90 °C. The yield is about 93 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes. In addition, this chemical is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Besides, this chemical is highly flammable, it may catch fire in contact with an ignition source. What's more, it must be stored in airtight containers and placed in a cool, well-ventilated place.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCC)NCC
(2) InChI: InChI=1/C5H12N2O/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
(3) InChIKey: ZWAVGZYKJNOTPX-UHFFFAOYAT

The toxicity data is as follows: