Try beta.chemspider
Ethyl 4-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]benzo[h]quinoline-3-carboxylate
CCOC(=O)c1cnc2c3ccccc3ccc2c1NC4CC(NC(C4)(C)C)(C)C
InChI=1S/C25H31N3O2/c1-6-30-23(29)20-15-26-21-18-10-8-7-9-16(18)11-12-19(21)22(20)27-17-13-24(2,3)28-25(4,5)14-17/h7-12,15,17,28H,6,13-14H2,1-5H3,(H,26,27)
RGAXLWXWAKYMJF-UHFFFAOYSA-N
CSID:1005469, http://www.chemspider.com/Chemical-Structure.1005469.html (accessed 04:29, May 9, 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) = 6.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 537.35 (Adapted Stein & Brown method) Melting Pt (deg C): 230.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.92E-011 (Modified Grain method) Subcooled liquid VP: 3.08E-009 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): 0.01127 log Kow used: 6.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.1654 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 : 3.23E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.091E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.20 (KowWin est) Log Kaw used: -13.879 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.079 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2809 Biowin2 (Non-Linear Model) : 0.0515 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9084 (months ) Biowin4 (Primary Survey Model) : 3.1196 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0211 Biowin6 (MITI Non-Linear Model): 0.0032 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0015 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): 4.11E-007 Pa (3.08E-009 mm Hg) Log Koa (Koawin est ): 20.079 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.31 Octanol/air (Koa) model: 2.94E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.0167 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.167 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.066E+006 Log Koc: 6.487 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.776E-002 L/mol-sec Kb Half-Life at pH 8: 212.462 days Kb Half-Life at pH 7: 5.817 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.077 (BCF = 1.193e+004) log Kow used: 6.20 (estimated) Volatilization from Water: Henry LC: 3.23E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.65E+012 hours (1.521E+011 days) Half-Life from Model Lake : 3.982E+013 hours (1.659E+012 days) Removal In Wastewater Treatment: Total removal: 92.84 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.07 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 3.52e-007 2.33 1000 Water 1.99 1.44e+003 1000 Soil 47.6 2.88e+003 1000 Sediment 50.4 1.3e+004 0 Persistence Time: 5.52e+003 hr
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