2-Butenoic acid,3-amino-4-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethoxy]-, ethyl ester (265136-65-0)

The Ethyl 3-amino-4-(2-phthalimidoethoxy)crotonate, with the cas registry number 265136-65-0, has the systematic name of ethyl (2Z)-3-amino-4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]but-2-enoate. Its product belongs to the category of API intermediates. And the molecular formula of the chemical is C₁₆H₁₈N₂O₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 37.83; (6)ACD/BCF (pH 7.4): 38.79; (7)ACD/KOC (pH 5.5): 465.54; (8)ACD/KOC (pH 7.4): 477.27; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 76.15 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 81.72 cm³; (15)Molar Volume: 246.1 cm³; (16)Polarizability: 32.39×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 257.7 °C; (20)Enthalpy of Vaporization: 77.15 kJ/mol; (21)Boiling Point: 502.5 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)\C=C(/N)COCCN2C(=O)c1ccccc1C2=O
(2)InChI: InChI=1/C16H18N2O5/c1-2-23-14(19)9-11(17)10-22-8-7-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,9H,2,7-8,10,17H2,1H3/b11-9-
(3)InChIKey: OEBFVKDPQVFAPH-LUAWRHEFBP