2-Amino-4-chloro-benzenebutanoic acid methyl ester (1188265-95-3)

The 2-Amino-4-chloro-benzenebutanoic acid methyl ester is an organic compound with the formula C₁₁H₁₄ClNO₂. The systematic name of this chemical is methyl 4-(2-amino-4-chloro-phenyl)butanoate. With the CAS registry number 1188265-95-3, it is also named as Benzenebutanoic acid, 2-amino-4-chloro-, methyl ester.

Physical properties about 2-Amino-4-chloro-benzenebutanoic acid methyl ester are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.185; (3)ACD/LogD (pH 7.4): 2.188; (4)ACD/BCF (pH 5.5): 26.88; (5)ACD/BCF (pH 7.4): 27.116; (6)ACD/KOC (pH 5.5): 366.188; (7)ACD/KOC (pH 7.4): 369.409; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 52.32 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 60.607 cm³; (14)Molar Volume: 189.484 cm³; (15)Polarizability: 24.026×10^-24cm³; (16)Surface Tension: 44.594 dyne/cm; (17)Density: 1.202 g/cm³; (18)Flash Point: 169.983 °C; (19)Enthalpy of Vaporization: 60.283 kJ/mol; (20)Boiling Point: 357.455 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)CCCc1ccc(cc1N)Cl
(2)InChI: InChI=1/C11H14ClNO2/c1-15-11(14)4-2-3-8-5-6-9(12)7-10(8)13/h5-7H,2-4,13H2,1H3
(3)InChIKey: HSFQTSQVYVDMJN-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H14ClNO2/c1-15-11(14)4-2-3-8-5-6-9(12)7-10(8)13/h5-7H,2-4,13H2,1H3
(5)Std. InChIKey: HSFQTSQVYVDMJN-UHFFFAOYSA-N