Benzoic acid,4-[[(methylphenylamino)methylene]amino]-, ethyl ester

The IUPAC name of Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate is ethyl 4-[(N-methylanilino)methylideneamino]benzoate. With the CAS registry number 57834-33-0, it is also named as N-(Ethoxycarbonylphenyl)-N'-methyl-N'-phenyl formamidine. The product's categories are Catalysts and Additives; UV Absorbers. In addition, its molecular formula is C₁₇H₁₈N₂O₂ and its molecular weight is 282.34. Besides, this chemical is an efficient uvioresistant additive which is used in the materials such as polyurethane, adhesives and foams.

The other characteristics of Ethyl 4-[[(methylphenylamino)methylene]amino]benzoate can be summarized as: (1)EINECS: 260-976-0; (2)ACD/LogP: 4.34; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.99; (5)ACD/LogD (pH 7.4): 4.21; (6)ACD/BCF (pH 5.5): 52.3; (7)ACD/BCF (pH 7.4): 872.32; (8)ACD/KOC (pH 5.5): 244.33; (9)ACD/KOC (pH 7.4): 4075.64; (10)#H bond acceptors: 4; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 5; (13)Polar Surface Area: 41.9 Å²; (14)Index of Refraction: 1.547; (15)Molar Refractivity: 84.67 cm³; (16)Molar Volume: 266.8 cm³; (17)Polarizability: 33.56×10^-24cm³; (18)Surface Tension: 38.5 dyne/cm; (19)Density: 1.05 g/cm³; (20)Flash Point: 206 °C; (21)Enthalpy of Vaporization: 67.03 kJ/mol; (22)Boiling Point: 416.9 °C at 760 mmHg; (23)Vapour Pressure: 3.68E-07 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC)c2ccc(/N=C/N(c1ccccc1)C)cc2
(2)InChI: InChI=1/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+
(3)InChIKey: GNGYPJUKIKDJQT-QGOAFFKABW
(4)Std. InChI: InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+
(5)Std. InChIKey: GNGYPJUKIKDJQT-QGOAFFKASA-N