Benzenepropanoic acid, b-amino-4-methyl- (68208-18-4)

The 3-Amino-3-(4-methylphenyl)propionic acid with the cas number 68208-18-4 is also called Benzenepropanoic acid, b-amino-4-methyl-. Its molecular formula is C₁₀H₁₃NO₂. This chemical belongs to the following product categories: (1)C10; (2)Carbonyl Compounds; (3)Carboxylic Acids; (4)B-Amino.

The properties of the chemical are: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.13; (4)ACD/LogD (pH 7.4): -1.13; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 50.36 cm³; (15)Molar Volume: 154 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Enthalpy of Vaporization: 59.93 kJ/mol; (19)Vapour Pressure: 9.32×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccc(cc1)C
(2)InChI: InChI=1/C10H13NO2/c1-7-2-4-8(5-3-7)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
(3)InChIKey: XPDAKEOBPKFUAH-UHFFFAOYAE