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CAS No.: | 42414-28-8 |
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Name: | 4,6,8-TRIMETHYL-QUINOLIN-2-OL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H13NO |
Molecular Weight: | 187.241 |
Synonyms: | Carbostyril, 4,6,8-trimethyl- (4CI);4,6,8-Trimethyl-2-quinolone;4,6,8-Trimethylcarbostyril;NSC 108501; |
Density: | 1.084 g/cm3 |
Boiling Point: | 350.3 °C at 760 mmHg |
Flash Point: | 207.7 °C |
PSA: | 32.86000 |
LogP: | 2.45330 |
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The 2(1H)-Quinolinone, 4, 6, 8-trimethyl-, with the CAS registry number of 42414-28-8, is also known as 4, 6, 8-Trimethyl-quinolin-2-ol. This chemical's molecular formula is C12H13NO and molecular weight is 187.2377. What's more, its IUPAC name is 4, 6, 8-Trimethyl-1H-quinolin-2-one.
Physical properties about 2(1H)-Quinolinone, 4, 6, 8-trimethyl- are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 75.07; (6)ACD/BCF (pH 7.4): 75.07; (7)ACD/KOC (pH 5.5): 765.73; (8)ACD/KOC (pH 7.4): 765.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 55.86 cm3; (15)Molar Volume: 172.6 cm3; (16)Surface Tension: 37.2 dyne/cm; (17)Density: 1.084 g/cm3; (18)Flash Point: 207.7 °C; (19)Enthalpy of Vaporization: 59.49 kJ/mol; (20)Boiling Point: 350.3 °C at 760 mmHg; (21)Vapour Pressure: 4.42E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C(\c1c(c(cc(c1)C)C)N2)C
(2) InChI: InChI=1/C12H13NO/c1-7-4-9(3)12-10(5-7)8(2)6-11(14)13-12/h4-6H,1-3H3,(H,13,14)
(3) InChIKey: UHXASMSNKAVYHU-UHFFFAOYAI