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4-Quinolinol, 2,8-dimethyl-

  • Name 4-Quinolinol, 2,8-dimethyl-
  • EINECSN/A
  • CAS No. 15644-80-1
  • Density1.107g/cm3
  • PSA33.12000
  • LogP2.55720
  • SolubilityN/A
  • Melting Point262.3°C
  • FormulaC11H11NO
  • Boiling Point292.4 °C at 760 mmHg
  • Molecular Weight173.214
  • Flash Point124.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-39
  • Risk Codes22-41
  • Molecular Structure
    Molecular Structure of 15644-80-1 (2,8-DIMETHYL-4-HYDROXYQUINOLINE)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data14

4-Quinolinol, 2,8-dimethyl- 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

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