Benzenebutanoic acid, b-amino-4-methoxy- (189693-74-1)

The 3-Amino-4-(4-methoxyphenyl)butanoic acid, with the CAS registry number 189693-74-1, is also known as Benzenebutanoic acid, β-amino-4-methoxy-. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₁H₁₅NO₃ and molecular weight is 209.24. What's more, its systematic name is also called 3-Amino-4-(4-methoxyphenyl)butanoic acid.

Physical properties about 3-Amino-4-(4-methoxyphenyl)butanoic acid are: (1) ACD/LogP: 0.87; (2) # of Rule of 5 Violations: 0; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 4; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 6; (10)Polar Surface Area: 72.55 Å²; (11) Index of Refraction: 1.551; (12) Molar Refractivity: 56.805 cm³; (13) Molar Volume: 177.946 cm³; (14) Surface Tension: 47.976 dyne/cm; (15) Density: 1.176 g/cm³; (16) Flash Point: 178.163 °C; (17) Enthalpy of Vaporization: 65.192 kJ/mol; (18) Boiling Point: 370.981 °C at 760 mmHg; (19) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(CC(N)CC(O)=O)cc1
(2) InChI: InChI=1/C11H15NO3/c1-15-10-4-2-8(3-5-10)6-9(12)7-11(13)14/h2-5,9H,6-7,12H2,1H3,(H,13,14)
(3) InChIKey: GQFFGGKZIKRIFE-UHFFFAOYAA