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| CAS No.: | 6971-44-4 |
|---|---|
| Name: | METHYLPYRIDIN-4-YLMETHYLAMINE |
| Molecular Structure: | |
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| Formula: | C7H10N2 |
| Molecular Weight: | 122.17 |
| Synonyms: | Pyridine,4-[(methylamino)methyl]- (6CI,7CI,8CI);4-(Methylaminomethyl)pyridine;4-(N-Methylaminomethyl)pyridine;Methyl(pyridin-4-ylmethyl)amine;N-((Pyridin-4-yl)methyl)methylamine;N-Methyl-N-(4-pyridylmethyl)amine;N-Methyl-N-(pyridin-4-ylmethyl)amine;NSC 66533;[(Pyridin-4-yl)methyl]methylamine;N-methyl-1-(pyridin-4-yl)methanamine;4-Pyridinemethanamine, N-methyl-;N-Methyl-1-(pyridin-4-yl)methanamine; |
| EINECS: | 230-198-6 |
| Density: | 0.982 g/cm3 |
| Boiling Point: | 200 °C at 760 mmHg |
| Flash Point: | 74.7 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 22-34 |
| Safety: | 23-26-36/37/39-45 |
| PSA: | 24.92000 |
| LogP: | 1.19190 |
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Specification
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