N-ETHYL-N-PHENYLURETHANE

The Carbamic acid,ethylphenyl-, ethyl ester (9CI), with the CAS registry number 1013-75-8, is also known as Ethyl ethyl(phenyl)carbamate. It belongs to the product category of Ethanes/ethenes. This chemical's molecular formula is C₁₁H₁₅NO₂ and molecular weight is 193.24. What's more, its systematic name is ethyl ethyl(phenyl)carbamate.

Physical properties of Carbamic acid,ethylphenyl-, ethyl ester (9CI) are: (1)ACD/LogP: 3.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 3.15; (5)ACD/BCF (pH 5.5): 145.92; (6)ACD/BCF (pH 7.4): 145.92; (7)ACD/KOC (pH 5.5): 1232.19; (8)ACD/KOC (pH 7.4): 1232.2; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 56.23 cm³; (15)Molar Volume: 180.4 cm³; (16)Polarizability: 22.29×10^-24 cm³; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.071 g/cm³; (19)Flash Point: 115 °C; (20)Enthalpy of Vaporization: 50.45 kJ/mol; (21)Boiling Point: 266.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0086 mmHg at 25°C.

Preparation: this chemical can be prepared by ethyl-phenyl-thiocarbamic acid O-ethyl ester at the temperature of 22 °C. This reaction will need reagents N-nitroso-N-methylaniline, potassium iodide, 4M HCl and solvent CH₂Cl₂ H₂O with the reaction time of 16 hours. The yield is about 57%.

Uses of Carbamic acid,ethylphenyl-, ethyl ester (9CI): it can be used to produce ethyl-phenyl-thiocarbamic acid O-ethyl ester at the temperature of 140 °C. It will need reagent 2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide and solvent xylene with the reaction time of 24 hours. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)N(c1ccccc1)CC
(2)InChI: InChI=1/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
(3)InChIKey: XEFYPTRGVWLMHB-UHFFFAOYAC