2-Heptyl-3-hydroxy-4(1H)-quinolinone supplier

Name
2-HEPTYL-3-HYDROXY-4-QUINOLONE
EINECS
CAS No. 108985-27-9
Density 1.103 g/cm³
Solubility
Melting Point 182-185 °C
Formula C₁₆H₂₁NO₂
Boiling Point 389.366 °C at 760 mmHg
Molecular Weight 259.34
Flash Point 189.282 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Quinolone,2-heptyl-3-hydroxy- (6CI);2-Heptyl-3-hydroxy-4-quinolone;PQS;Pseudomonasquinolone signal;2-Heptyl-3-hydroxy-4(1H)-quinolinone;
PSA 53.09000
LogP 3.74660

2-Heptyl-3-hydroxy-4(1H)-quinolinone Specification

The CAS register number of 2-Heptyl-3-hydroxy-4(1H)-quinolinone is 108985-27-9. It also can be called as 4(1H)-Quinolinone,2-heptyl-3-hydroxy- and the systematic name about this chemical is 2-heptyl-3-hydroxy-1H-quinolin-4-one. The molecular formula about this chemical is C₁₆H₂₁NO₂and molecular weight is 259.34.

Physical properties about 2-Heptyl-3-hydroxy-4(1H)-quinolinone are: (1)ACD/LogP: 4.57; (2)ACD/LogD (pH 5.5): 4.571; (3)ACD/LogD (pH 7.4): 4.571; (4)ACD/BCF (pH 5.5): 1755.173; (5)ACD/BCF (pH 7.4): 1751.491; (6)ACD/KOC (pH 5.5): 7309.321; (7)ACD/KOC (pH 7.4): 7293.989; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 49.33Å²; (12)Index of Refraction: 1.556; (13)Molar Refractivity: 75.583 cm³; (14)Molar Volume: 235.164 cm³; (15)Polarizability: 29.963x10^-24cm³; (16)Surface Tension: 43.407 dyne/cm; (17)Enthalpy of Vaporization: 67.364 kJ/mol; (18)Boiling Point: 389.366 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCc1c(c(=O)c2ccccc2[nH]1)O
(2)InChI: InChI=1/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
(3)InChIKey: CEIUIHOQDSVZJQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-14-16(19)15(18)12-9-7-8-10-13(12)17-14/h7-10,19H,2-6,11H2,1H3,(H,17,18)
(5)Std. InChIKey: CEIUIHOQDSVZJQ-UHFFFAOYSA-N

Product Name

2-HEPTYL-3-HYDROXY-4-QUINOLONE

2-Heptyl-3-hydroxy-4(1H)-quinolinone Specification

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