The N-methyl-N-(pyridin-4-ylmethyl)amine, with the CAS registry number 6971-44-4 and EINECS registry number 230-198-6, has the systematic name of N-methyl-1-(pyridin-4-yl)methanamine. It belongs to the following product categories: Amines and Anilines; Heterocycles; API intermediates; Aminomethyl's; Pyridines. And the molecular formula of the chemical is C7H10N2.
The characteristics of N-methyl-N-(pyridin-4-ylmethyl)amine are as followings: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.65; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2.67; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 37.48 cm3; (15)Molar Volume: 124.2 cm3; (16)Polarizability: 14.86×10-24cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 0.982 g/cm3; (19)Flash Point: 74.7 °C; (20)Enthalpy of Vaporization: 43.62 kJ/mol; (21)Boiling Point: 200 °C at 760 mmHg; (22)Vapour Pressure: 0.332 mmHg at 25°C.
Uses of N-methyl-N-(pyridin-4-ylmethyl)amine: It can react with phenyl-oxirane to produce 2-(methyl-pyridin-4-ylmethyl-amino)-1-phenyl-ethanol. This reaction will need menstruum ethanol. The reaction time is 11 hours with temperature of 50°C, and the yield is about 58%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1ccc(cc1)CNC
(2)InChI: InChI=1/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
(3)InChIKey: DNBWGFKLIBQQSL-UHFFFAOYAQ
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