Benzenepropanoic acid, b-amino-2-methoxy- (103095-63-2)

The DL-3-Amino-3-(2-methoxyphenyl)propionic acid, with the CAS registry number 103095-63-2, has the systematic name of 3-amino-3-(2-methoxyphenyl)propanoic acid. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₁₀H₁₃NO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -1.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 52.21 cm³; (15)Molar Volume: 161.8 cm³; (16)Polarizability: 20.7×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.206 g/cm³; (19)Flash Point: 171.8 °C; (20)Enthalpy of Vaporization: 63.97 kJ/mol; (21)Boiling Point: 360.5 °C at 760 mmHg; (22)Vapour Pressure: 7.93E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CC(c1ccccc1OC)N
(2)InChI: InChI=1/C10H13NO3/c1-14-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)
(3)InChIKey: UAZGIQATDPCZHH-UHFFFAOYAY