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| CAS No.: | 4931-47-9 |
|---|---|
| Name: | 2-Acetamido-5-picoline |
| Molecular Structure: | |
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| Formula: | C8H10N2O |
| Molecular Weight: | 150.18 |
| Synonyms: | N-(5-methylpyridin-2-yl)acetamide;Acetamide, N-(5-methyl-2-pyridinyl)-;N-(5-Methyl-2-Pyridinyl) Acetamide; |
| Density: | 1.137 g/cm3 |
| Boiling Point: | 344.4 °C at 760 mmHg |
| Flash Point: | 162.1 °C |
| Safety: | 24/25 |
| PSA: | 41.99000 |
| LogP: | 1.42140 |
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Specification
This chemical is called 2-Acetamido-5-picoline, and it can also be named as N-(5-Methylpyridin-2-yl)acetamide. With the molecular formula of C8H10N2O, its molecular weight is 150.18. The CAS registry number of this chemical is 4931-47-9.
Other characteristics of the 2-Acetamido-5-picoline can be summarised as followings: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 64.08; (8)ACD/KOC (pH 7.4): 75.13; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 43.44 cm3; (15)Molar Volume: 132 cm3; (16)Polarizability: 17.22×10-24cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.137 g/cm3; (19)Flash Point: 162.1 °C; (20)Enthalpy of Vaporization: 58.84 kJ/mol; (21)Boiling Point: 344.4 °C at 760 mmHg; (22)Vapour Pressure: 6.6E-05 mmHg at 25°C.
Production method of this chemical: The 2-Acetamido-5-picoline could be obtained by the reactant of 3-methyl-pyridine. This reaction needs the reagent of F2(gas), acetonitrile, water. The yield is 23 %. In addition, this reaction should be taken for 2 hours at the temperature of -40-0 °C.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ncc(cc1)C)C
2.InChI: InChI=1/C8H10N2O/c1-6-3-4-8(9-5-6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
3.InChIKey: ARHIRVVLQAQUCO-UHFFFAOYAX