Benzenepropanoic acid, b-amino-3,4-dimethoxy- (34841-09-3)

The 3-Amino-3-(3,4-dimethoxyphenyl)propionic acid, with cas registry number 34841-09-3, belongs to the following product categories: (1)API intermediates; (2)C11 to C12; (3)Carbonyl Compounds; (4)Carboxylic Acids. Its systematic name and its IUPAC name are the same, which is 3-amino-3-(3,4-dimethoxyphenyl)propanoic acid. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 58.89 cm³; (15)Molar Volume: 185.8 cm³; (16)Polarizability: 23.34×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 66.22 kJ/mol; (19)Vapour Pressure: 1.93E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(c1cc(OC)c(OC)cc1)N
(2)InChI: InChI=1/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
(3)InChIKey: FGCXSFRGPCUBPW-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)
(5)Std. InChIKey: FGCXSFRGPCUBPW-UHFFFAOYSA-N