4-Dimethylaminopyridine N-oxide

The 4-Dimethylaminopyridine N-oxide, with the CAS registry number 1005-31-8, is also known as 4-Pyridinamine, N, N-dimethyl-, 1-oxide. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₇H₁₀N₂O and molecular weight is 138.17. What's more, its IUPAC name is N, N-dimethyl-1-oxidopyridin-1-ium-4-amine. 

Physical properties about 4-Dimethylaminopyridine N-oxide are: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.92; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.45; (8)ACD/KOC (pH 7.4): 7.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.35 Å²; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 40.64 cm³; (15)Molar Volume: 133.6 cm³; (16)Polarizability: 16.11×10^-24 cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 1.03 g/cm³; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.78 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000409 mmHg at 25 °C.

Preparation of 4-Dimethylaminopyridine N-oxide: this chemical is prepared by reaction of 4-Chloro-pyridine 1-oxide with Dimethylamine. The reaction needs solvent H₂O. The reaction time is 18 hours with reaction temperature of 140 °C. The yield is about 81 %.

Uses of 4-Dimethylaminopyridine N-oxide: it is used to produce other chemicals. For example, it is used to produce Dimethyl-pyridin-4-yl-amine. This reaction needs reagents Hexamethyldisilane and Tetrabutylammonium fluoride. Meanwhile, it needs solvent Tetrahydrofuran. The reaction time is 8 hours with reaction temperature of 24 - 30 °C. The yield is about 84 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][n+]1ccc(N(C)C)cc1
(2) InChI: InChI=1/C7H10N2O/c1-8(2)7-3-5-9(10)6-4-7/h3-6H,1-2H3
(3) InChIKey: WZMNQOYCHMGCSS-UHFFFAOYAO