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Name |
Ethanone, 1-(1,2,3,4-tetrahydro-6-quinolinyl)- |
EINECS | N/A |
CAS No. | 113961-88-9 | Density | 1.07 g/cm3 |
PSA | 29.10000 | LogP | 2.38530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H13NO | Boiling Point | 356.049 °C at 760 mmHg |
Molecular Weight | 175.23 | Flash Point | 158.025 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone; |
The CAS registry number of Ethanone, 1-(1,2,3,4-tetrahydro-6-quinolinyl)- is 113961-88-9. Its molecular formula is C11H13NO and molecular weight is 175.227. Its systematic name is called 1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone.
Physical properties about Ethanone, 1-(1,2,3,4-tetrahydro-6-quinolinyl)- are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 26; (6)ACD/BCF (pH 7.4): 26; (7)ACD/KOC (pH 5.5): 361; (8)ACD/KOC (pH 7.4): 361; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.545; (13)Molar Refractivity: 51.803 cm3; (14)Molar Volume: 163.826 cm3; (15)Surface Tension: 39.802 dyne/cm; (16)Density: 1.07 g/cm3; (17)Flash Point: 158.025 °C; (18)Enthalpy of Vaporization: 60.126 kJ/mol; (19)Boiling Point: 356.049 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Uses of Ethanone, 1-(1,2,3,4-tetrahydro-6-quinolinyl)-: it can be used to produce 6-acetyl-1-hydroxy-3,4-dihydro-1H-quinolin-2-one at ambient temperature. It will need reagent 30 percent hydrogen peroxide, catalyst sodium tungstate and solvents H2O, methanol. The yield is about 52 %.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2c(c1)CCCN2)C
(2)InChI: InChI=1/C11H13NO/c1-8(13)9-4-5-11-10(7-9)3-2-6-12-11/h4-5,7,12H,2-3,6H2,1H3
(3)InChIKey: YFNHWMNECPFUGS-UHFFFAOYAV