4-(Acetylamino)-benzoic acid ethyl ester

The 4-(Acetylamino)-benzoic acid ethyl ester, with the CAS registry number 5338-44-3, is also known as Benzoic acid, 4-(acetylamino)-, ethyl ester. This chemical's molecular formula is C₁₁H₁₃NO₃ and molecular weight is 207.23. What's more, its systematic name is called Ethyl 4-(acetylamino)benzoate.

Physical properties about 4-(Acetylamino)-benzoic acid ethyl ester are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 34.22; (6)ACD/BCF (pH 7.4): 34.22; (7)ACD/KOC (pH 5.5): 436.41; (8)ACD/KOC (pH 7.4): 436.41; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 56.93 cm³; (15)Molar Volume: 176.9 cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.171 g/cm³; (18)Flash Point: 190.2 °C; (19)Enthalpy of Vaporization: 64.03 kJ/mol; (20)Boiling Point: 390.8 °C at 760 mmHg; (21)Vapour Pressure: 2.58E-06 mmHg at 25 °C.

Preparation of 4-(Acetylamino)-benzoic acid ethyl ester: this chemical can be prepared by Acetic acid anhydride with 4-Azido-benzoic acid ethyl ester. The reaction occurs with reagent TMSCl and other condition of heating for 1 hour. The yield is 89 %.

Uses of 4-(Acetylamino)-benzoic acid ethyl ester: it is used to produce other chemicals. For example, it is used to produce 4-Acetylamino-benzoic acid hydrazide. The reaction occurs with reagent hydrazine hydrate and solvent ethanol and other condition of heating for 12 hours. The yield is 78 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1ccc(cc1)C(=O)OCC)C
(2) InChI: InChI=1/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
(3) InChIKey: NHLOBHNRBWKNIO-UHFFFAOYAM