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CAS No.: | 6312-25-0 |
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Name: | N-benzyl-2-pyridin-2-yl-ethanamine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C14H16N2 |
Molecular Weight: | 212.294 |
Synonyms: | Pyridine,2-[2-(benzylamino)ethyl]- (7CI,8CI);NSC 42686; |
Density: | 1.053 g/cm3 |
Boiling Point: | 337.9 °C at 760 mmHg |
Flash Point: | 158.1 °C |
PSA: | 24.92000 |
LogP: | 2.80480 |
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The 2-Pyridineethanamine,N-(phenylmethyl)- is an organic compound with the formula C14H16N2. The IUPAC name of this chemical is N-Benzyl-2-pyridin-2-ylethanamine. With the CAS registry number 6312-25-0, it is also named as Benzyl(2-(2-pyridyl)ethyl)amine. Besides, it should be stored in a cool, sealed, dry, lightproof place.
The physical properties of 2-Pyridineethanamine,N-(phenylmethyl)- are: (1)ACD/LogP: 2.08; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 16.13 Å2; (6)Index of Refraction: 1.575; (7)Molar Refractivity: 66.6 cm3; (8)Molar Volume: 201.4 cm3; (9)Polarizability: 26.4×10-24 cm3; (10)Surface Tension: 43.6 dyne/cm; (11)Density: 1.053 g/cm3; (12)Flash Point: 158.1 °C; (13)Enthalpy of Vaporization: 58.11 kJ/mol; (14)Boiling Point: 337.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000102 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-Vinyl-pyridine and Benzylamine. This reaction is a kind of Michael addition. This reaction will need reagent AcOH and solvent methanol. The reaction time is 40 h. The yield is about 72%.
Uses of 2-Pyridineethanamine,N-(phenylmethyl)-: it can be used to produce 3-[Benzyl-(2-pyridin-2-yl-ethyl)-amino]-propionic acid methyl ester. The reaction time of it is 8 hours. The yield is about 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1CCNCc2ccccc2
(2)InChI: InChI=1/C14H16N2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
(3)InChIKey: WUDUNBALAGWKQB-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H16N2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14/h1-8,10,15H,9,11-12H2
(5)Std. InChIKey: WUDUNBALAGWKQB-UHFFFAOYSA-N