1-butyl-3-phenylurea

The Urea,N-butyl-N'-phenyl-, with CAS registry number 3083-88-3, has the systematic name of 1-butyl-3-phenylurea. Besides this, it is also called N-Butyl-N'-phenylurea. And the chemical formula of this chemical is C₁₁H₁₆N₂O.

Physical properties of Urea,N-butyl-N'-phenyl-: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.69; (6)ACD/BCF (pH 7.4): 66.69; (7)ACD/KOC (pH 5.5): 703.51; (8)ACD/KOC (pH 7.4): 703.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 58.01 cm³; (15)Molar Volume: 180.8 cm³; (16)Polarizability: 23×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.063 g/cm³; (19)Flash Point: 106.9 °C; (20)Enthalpy of Vaporization: 52.39 kJ/mol; (21)Boiling Point: 284.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00289 mmHg at 25°C.

Preparation: this chemical can be prepared by isocyanatobenzene and butylamine. This reaction will need solvent toluene. The reaction temperature is 70 - 80 ℃.

Uses of Urea,N-butyl-N'-phenyl-: it can be used to produce Phenylbutylcarbodiimide. This reaction will need reagents Ph₃P, Br₂, Et₃N and solvent benzene.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccccc1)NCCCC
(2)InChI: InChI=1/C11H16N2O/c1-2-3-9-12-11(14)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
(3)InChIKey: DOUCJWNVCGEZRR-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H16N2O/c1-2-3-9-12-11(14)13-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H2,12,13,14)
(5)Std. InChIKey: DOUCJWNVCGEZRR-UHFFFAOYSA-N