METHYL 4-METHYLAMINOBENZOATE

The Benzoic acid, 4-(methylamino)-, methyl ester, with the CAS registry number 18358-63-9, is also known as 4-Methylaminobenzoic acid methyl ester. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, its systematic name is methyl 4-(methylamino)benzoate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from light.

Physical properties of Benzoic acid, 4-(methylamino)-, methyl ester are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.15; (6)ACD/BCF (pH 7.4): 26.16; (7)ACD/KOC (pH 5.5): 359.88; (8)ACD/KOC (pH 7.4): 360.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 47.63 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 18.88×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 51.61 kJ/mol; (21)Boiling Point: 277.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00451 mmHg at 25°C.

Preparation of Benzoic acid, 4-(methylamino)-, methyl ester: this chemical can be prepared by methanol and 4-methylamino-benzoic acid by heating. This reaction will need reagent p-toluenesulfonic acid monohydrate with the reaction time of 72 hours. The yield is about 100%.

Uses of Benzoic acid, 4-(methylamino)-, methyl ester: it can be used to produce methyl 4-(N-butyryl-N-meethylamino)benzoate by heating. It will need reagent triethylamine and solvent diethyl ether with the reaction time of 4 hours. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=C(C=C1)C(=O)OC
(2)InChI: InChI=1S/C9H11NO2/c1-10-8-5-3-7(4-6-8)9(11)12-2/h3-6,10H,1-2H3
(3)InChIKey: LLAMGYUWYUMHCH-UHFFFAOYSA-N