Products Categories
CAS No.: | 73013-68-0 |
---|---|
Name: | 6-ACETYLQUINOLINE |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H9NO |
Molecular Weight: | 171.199 |
Synonyms: | Ketone,methyl 6-quinolyl (6CI,7CI);6-Acetylquinoline;NSC 87613; |
Density: | 1.154 g/cm3 |
Melting Point: | 77 °C |
Boiling Point: | 315.2 °C at 760 mmHg |
Flash Point: | 152.4 °C |
PSA: | 29.96000 |
LogP: | 2.43740 |
This chemical is called Ethanone,1-(6-quinolinyl)-, and its systematic name is 1-(quinolin-6-yl)ethanone. With the molecular formula of C11H9NO, its molecular weight is 171.20. The CAS registry number of this chemical is 73013-68-0.
Other characteristics of the Ethanone,1-(6-quinolinyl)- can be summarised as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 52.21 cm3; (9)Molar Volume: 148.3 cm3; (10)Polarizability: 20.69×10-24cm3; (11)Surface Tension: 48 dyne/cm; (12)Density: 1.154 g/cm3; (13)Flash Point: 152.4 °C; (14)Enthalpy of Vaporization: 55.64 kJ/mol; (15)Boiling Point: 315.2 °C at 760 mmHg; (16)Vapour Pressure: 0.000444 mmHg at 25°C.
Production method of this chemical: The Ethanone,1-(6-quinolinyl)- could be obtained by the reactants of 3-amino-propan-1-ol and 1-(4-nitro-phenyl)-ethanone. This reaction needs the reagents of isopropanol, triphenylphosφne, tin(II) chloride dihydrate, the catalyst of ruthenium(III) chloride hydrate, and the solvents of dioxane, H2O. The yield is 40 %. In addition, this reaction should be taken for 20 hours at the temperature of 180 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccc2ncccc2c1)C
2.InChI: InChI=1/C11H9NO/c1-8(13)9-4-5-11-10(7-9)3-2-6-12-11/h2-7H,1H3
3.InChIKey: GBYIZWZRYFGYDE-UHFFFAOYAT