3-Dimethylaminoanisole

The 3-Dimethylaminoanisole is an organic compound with the formula C₉H₁₃NO. The IUPAC name of this chemical is 3-methoxy-N,N-dimethylaniline. With the CAS registry number 15799-79-8, it is also named as benzenamine, 3-methoxy-N,N-dimethyl-. The product's categories are Anilines; Aromatic Amines and Nitro Compounds. Besides, it is a clear yellow liquid, which should be stored in a closed, dark, coo, dry place at room temperature.

Physical properties about 3-Dimethylaminoanisole are: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 25.47; (5)ACD/BCF (pH 7.4): 28.94; (6)ACD/KOC (pH 5.5): 340.44; (7)ACD/KOC (pH 7.4): 386.88; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 12.47 Å²; (11)Index of Refraction: 1.536; (12)Molar Refractivity: 47.24 cm³; (13)Molar Volume: 151.4 cm³; (14)Polarizability: 18.72×10^-24cm³; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 0.998 g/cm³; (17)Flash Point: 60.8 °C; (18)Enthalpy of Vaporization: 44.87 kJ/mol; (19)Boiling Point: 212.4 °C at 760 mmHg; (20)Vapour Pressure: 0.174 mmHg at 25°C.

Uses of 3-Dimethylaminoanisole: it can be used to produce C₂₀H₁₉NO₄. It will need reagent tributyl orthoformate and solvent propan-2-ol with reaction time of 90 min. The yield is about 43%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cccc(N(C)C)c1)C
(2)InChI: InChI=1/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
(3)InChIKey: MOYHVSKDHLMMPS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H13NO/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
(5)Std. InChIKey: MOYHVSKDHLMMPS-UHFFFAOYSA-N