Benzenebutanoic acid, b-amino-3-methyl- (678969-19-2)

The CAS register number of 3-Amino-4-(3-methylphenyl)butyric acid is 678969-19-2. It also can be called as (RS)-3-Amino-4-(3-methylphenyl)butanoicacid and the systematic name about this chemical is benzenebutanoic acid, β-amino-3-methyl-. The molecular formula about this chemical is C₁₁H₁₅NO₂ and molecular weight is 193.24.

Physical properties about 3-Amino-4-(3-methylphenyl)butyric acid are: (1)ACD/LogP: 1.79; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 63.32Ų; (10)Index of Refraction: 1.558; (11)Molar Refractivity: 54.95 cm³; (12)Molar Volume: 170.2 cm³; (13)Polarizability: 21.78x10^-24cm³; (14)Surface Tension: 48.5 dyne/cm; (15)Enthalpy of Vaporization: 62.11 kJ/mol; (16)Boiling Point: 344.6 °C at 760 mmHg; (17)Vapour Pressure: 2.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1)CC(CC(=O)O)N
(2)InChI: InChI=1/C11H15NO2/c1-8-3-2-4-9(5-8)6-10(12)7-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)
(3)InChIKey: SMOOMZALOMCYEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H15NO2/c1-8-3-2-4-9(5-8)6-10(12)7-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)
(5)Std. InChIKey: SMOOMZALOMCYEF-UHFFFAOYSA-N