Ethyl 3-[4-(aminomethyl)phenyl]-2-methylpropanoate

Ethyl 3-[4-(aminomethyl)phenyl]-2-methylpropanoate is an organic compound with the formula C₁₃H₁₉NO₂, and its systematic name is the same with the product name. With the CAS registry number 912761-53-6, it is also named as Benzenepropanoic acid, 4-(aminomethyl)-α-methyl-, ethyl ester. In addition, the molecular weight is 221.30.

Physical properties of Ethyl 3-[4-(aminomethyl)phenyl]-2-methylpropanoate are: (1)ACD/LogP: 2.008; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 5.52; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 64.519 cm³; (15)Molar Volume: 212.124 cm³; (16)Polarizability: 25.577×10^-24cm³; (17)Surface Tension: 39.26 dyne/cm; (18)Density: 1.043 g/cm³; (19)Flash Point: 175.427 °C; (20)Enthalpy of Vaporization: 56.686 kJ/mol; (21)Boiling Point: 324.798 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc(CC(C)C(=O)OCC)cc1
(2)Std. InChI: InChI=1S/C13H19NO2/c1-3-16-13(15)10(2)8-11-4-6-12(9-14)7-5-11/h4-7,10H,3,8-9,14H2,1-2H3
(3)Std. InChIKey: VJYSQDVQNWAVGO-UHFFFAOYSA-N