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CAS No.: | 1873-55-8 |
---|---|
Name: | 3-METHYLQUINOLINE N-OXIDE |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C10H9NO |
Molecular Weight: | 159.188 |
Synonyms: | 3-MethylquinolineN-oxide;3-Methylquinoline oxide; |
Density: | 1.1g/cm3 |
Melting Point: | 88-89°C |
Boiling Point: | 315 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | R36; R36/37/38; R36/38 |
PSA: | 25.46000 |
LogP: | 2.57670 |
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The Quinoline, 3-methyl-,1-oxide, with CAS registry number 1873-55-8, has the systematic name of 3-methylquinoline 1-oxide. Besides this, it is also called 3-Methylquinoline N-oxide. And the chemical formula of this chemical is C10H9NO.
Physical properties of Quinoline, 3-methyl-,1-oxide: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.89; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.77; (7)ACD/KOC (pH 5.5): 72.18; (8)ACD/KOC (pH 7.4): 72.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 24.11 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.15 cm3; (15)Molar Volume: 143.6 cm3; (16)Polarizability: 19.08×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 144.3 °C; (20)Enthalpy of Vaporization: 53.41 kJ/mol; (21)Boiling Point: 315 °C at 760 mmHg; (22)Vapour Pressure: 0.000831 mmHg at 25°C.
Uses of Quinoline, 3-methyl-,1-oxide: it can be used to produce 3-methyl-1H-quinolin-2-one. This reaction will need reagent Ac2O. The reaction time is 2 hour(s). The yield is about 55%.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][n+]2c1ccccc1cc(c2)C
(2)InChI: InChI=1/C10H9NO/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
(3)InChIKey: CBGUMTBCWWMBRV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H9NO/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,1H3
(5)Std. InChIKey: CBGUMTBCWWMBRV-UHFFFAOYSA-N