Urea, N,N'-dibutyl- (1792-17-2)

The Dibutylurea with the CAS number 1792-17-2 is also called Urea, N,N'-dibutyl-. Both the systematic name and IUPAC name are 1,3-dibutylurea. Its molecular formula is C₉H₂₀N₂O. The EINECS registry number is 217-258-7. This chemical is white to pink or light beige crystalline powder. While using this chemical, you should avoid it contact with skin and eyes.

The properties of the Dibutylurea are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.38; (6)ACD/BCF (pH 7.4): 26.38; (7)ACD/KOC (pH 5.5): 362.21; (8)ACD/KOC (pH 7.4): 362.21; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 50.96 cm³; (15)Molar Volume: 191.8 cm³; (16)Polarizability: 20.2×10^-24cm³; (17)Surface Tension: 30.5 dyne/cm; (18)Enthalpy of Vaporization: 55.17 kJ/mol; (19)Vapour Pressure: 0.000584 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of butylamine and carbon monoxide. This reaction needs reagent sulfur at temperature of 120 °C.

Uses: This chemical can prepare dibutylcarbodiimide. This reaction needs reagent (C₆H₅)₃PBr₂, (C₂H₅)₃N and solvent CH₂Cl₂ at temperature of 0 °C. The reaction time is 60 hours. The yield is 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCCC)NCCCC
(2)InChI: InChI=1/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
(3)InChIKey: AQSQFWLMFCKKMG-UHFFFAOYAI