Benzenebutanoic acid,4-amino-, methyl ester (20637-09-6)

The CAS register number of Methyl 4-(4-aminophenyl)butyrate is 20637-09-6. It also can be called as 4-(4-Aminophenyl)butanoic acid methyl ester and the IUPAC name about this chemical is methyl 4-(4-aminophenyl)butanoate. The molecular formula about this chemical is C₁₁H₁₅NO₂ and molecular weight is 193.24.

Physical properties about Methyl 4-(4-aminophenyl)butyrate are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 6.55; (5)ACD/BCF (pH 7.4): 7.92; (6)ACD/KOC (pH 5.5): 126.53; (7)ACD/KOC (pH 7.4): 153.03; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 55.71 cm³; (14)Molar Volume: 177.5 cm³; (15)Polarizability: 22.08x10^-24cm³; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 56.59 kJ/mol; (18)Boiling Point: 323.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000254 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-(4-nitro-phenyl)-butyric acid methyl ester. This reaction will need reagent H₂, catalyst Pd/C and solvent ethyl acetate.

Uses of Methyl 4-(4-aminophenyl)butyrate: it can be used to produce methyl 4-{p-[3-(2-chloroethyl)ureido]phenyl}butyrate with 1-chloro-2-isocyanato-ethane at ambient temperature. This reaction will need solvent diethyl ether with reaction time of 3 hour(s). The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCc1ccc(N)cc1
(2)InChI: InChI=1/C11H15NO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3
(3)InChIKey: CLKHQWJXESOLCJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H15NO2/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8H,2-4,12H2,1H3
(5)Std. InChIKey: CLKHQWJXESOLCJ-UHFFFAOYSA-N