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4-Amino-2-methyl-6-quinolinecarboxylic acid
O=C(O)c1ccc2nc(cc(c2c1)N)C
InChI=1S/C11H10N2O2/c1-6-4-9(12)8-5-7(11(14)15)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)(H,14,15)
MRGARODDQXEDJP-UHFFFAOYSA-N
CSID:5480257, http://www.chemspider.com/Chemical-Structure.5480257.html (accessed 02:21, May 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) = 1.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 399.44 (Adapted Stein & Brown method) Melting Pt (deg C): 165.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.06E-007 (Modified Grain method) Subcooled liquid VP: 8.58E-006 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): 1648 log Kow used: 1.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28039 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.40E-015 atm-m3/mole Group Method: 7.39E-015 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.940E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.65 (KowWin est) Log Kaw used: -12.656 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.306 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6491 Biowin2 (Non-Linear Model) : 0.7738 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6304 (weeks-months) Biowin4 (Primary Survey Model) : 3.3868 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4042 Biowin6 (MITI Non-Linear Model): 0.2132 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0703 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): 0.00114 Pa (8.58E-006 mm Hg) Log Koa (Koawin est ): 14.306 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00262 Octanol/air (Koa) model: 49.7 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0865 Mackay model : 0.173 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.3806 E-12 cm3/molecule-sec Half-Life = 0.169 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.025 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.13 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 430.9 Log Koc: 2.634 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 1.65 (estimated) Volatilization from Water: Henry LC: 7.39E-015 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.127E+011 hours (4.694E+009 days) Half-Life from Model Lake : 1.229E+012 hours (5.121E+010 days) Removal In Wastewater Treatment: Total removal: 2.03 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 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 9.02e-008 4.05 1000 Water 29.9 900 1000 Soil 70 1.8e+003 1000 Sediment 0.0832 8.1e+003 0 Persistence Time: 1.25e+003 hr
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