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| CAS No.: | 15644-80-1 |
|---|---|
| Name: | 2,8-DIMETHYL-4-HYDROXYQUINOLINE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C11H11NO |
| Molecular Weight: | 173.214 |
| Synonyms: | 2,8-Dimethyl-4-hydroxyquinoline;2,8-Dimethyl-4-quinolinol;4-Hydroxy-2,8-dimethylquinoline;NSC 31466; |
| Density: | 1.107g/cm3 |
| Melting Point: | 262.3°C |
| Boiling Point: | 292.4 °C at 760 mmHg |
| Flash Point: | 124.9 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 33.12000 |
| LogP: | 2.55720 |
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- Total:22 Page 1 of 1 1
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Specification
This chemical is called 4-Quinolinol, 2,8-dimethyl-, and its systematic name is 2,8-dimethylquinolin-4(1H)-one. With the molecular formula of C11H11NO, its molecular weight is 173.21. The CAS registry number of this chemical is 15644-80-1.
Other characteristics of the 4-Quinolinol, 2,8-dimethyl- can be summarised as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 292.61; (6)ACD/BCF (pH 7.4): 292.75; (7)ACD/KOC (pH 5.5): 2027.28; (8)ACD/KOC (pH 7.4): 2028.26; (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: 1.566; (14)Molar Refractivity: 51.03 cm3; (15)Molar Volume: 156.3 cm3; (16)Polarizability: 20.23×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.107 g/cm3; (19)Flash Point: 124.9 °C; (20)Enthalpy of Vaporization: 53.19 kJ/mol; (21)Boiling Point: 292.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00184 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1c(c(ccc1)C)N/C(=C/2)C
2.InChI: InChI=1/C11H11NO/c1-7-4-3-5-9-10(13)6-8(2)12-11(7)9/h3-6H,1-2H3,(H,12,13)
3.InChIKey: QUHJYDMHDWSZIP-UHFFFAOYAI