Try beta.chemspider
3-Ethyl 8-methyl 4-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-3,8-quinolinedicarboxylate
CCOC(=O)c1cnc2c(c1NC3CC(NC(C3)(C)C)(C)C)cccc2C(=O)OC
InChI=1S/C23H31N3O4/c1-7-30-21(28)17-13-24-18-15(9-8-10-16(18)20(27)29-6)19(17)25-14-11-22(2,3)26-23(4,5)12-14/h8-10,13-14,26H,7,11-12H2,1-6H3,(H,24,25)
UAFQRMXLNQGDRM-UHFFFAOYSA-N
CSID:1006862, http://www.chemspider.com/Chemical-Structure.1006862.html (accessed 23:38, Jun 3, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.86 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 499.06 (Adapted Stein & Brown method) Melting Pt (deg C): 212.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.97E-010 (Modified Grain method) Subcooled liquid VP: 2.9E-008 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.809 log Kow used: 4.86 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 703.54 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.13E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.933E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.86 (KowWin est) Log Kaw used: -15.060 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.920 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4513 Biowin2 (Non-Linear Model) : 0.7412 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0310 (months ) Biowin4 (Primary Survey Model) : 3.3371 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3169 Biowin6 (MITI Non-Linear Model): 0.0206 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6229 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.87E-006 Pa (2.9E-008 mm Hg) Log Koa (Koawin est ): 19.920 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.776 Octanol/air (Koa) model: 2.04E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.966 Mackay model : 0.984 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 100.6741 E-12 cm3/molecule-sec Half-Life = 0.106 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.275 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.975 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.294E+005 Log Koc: 5.112 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.773E-002 L/mol-sec Kb Half-Life at pH 8: 103.199 days Kb Half-Life at pH 7: 2.825 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.044 (BCF = 1107) log Kow used: 4.86 (estimated) Volatilization from Water: Henry LC: 2.13E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.59E+013 hours (2.329E+012 days) Half-Life from Model Lake : 6.098E+014 hours (2.541E+013 days) Removal In Wastewater Treatment: Total removal: 72.78 percent Total biodegradation: 0.64 percent Total sludge adsorption: 72.13 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.79e-009 2.55 1000 Water 6.67 1.44e+003 1000 Soil 78.4 2.88e+003 1000 Sediment 14.9 1.3e+004 0 Persistence Time: 3.35e+003 hr
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