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2-(4-Methoxyphenyl)-N-(4-methylbenzyl)-N-(1-methyl-4-piperidinyl)acetamide
Cc1ccc(cc1)CN(C2CCN(CC2)C)C(=O)Cc3ccc(cc3)OC
InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3
AHGNJBSTWQOSAB-UHFFFAOYSA-N
CSID:7975073, http://www.chemspider.com/Chemical-Structure.7975073.html (accessed 01:53, Apr 27, 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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 484.79 (Adapted Stein & Brown method) Melting Pt (deg C): 205.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.16E-010 (Modified Grain method) Subcooled liquid VP: 6.64E-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): 1.703 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.138 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.311E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: -12.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.370 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8192 Biowin2 (Non-Linear Model) : 0.8423 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8724 (months ) Biowin4 (Primary Survey Model) : 3.1764 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0532 Biowin6 (MITI Non-Linear Model): 0.0081 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4927 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): 8.85E-006 Pa (6.64E-008 mm Hg) Log Koa (Koawin est ): 16.370 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.339 Octanol/air (Koa) model: 5.75E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.924 Mackay model : 0.964 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 156.3883 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.821 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.944 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.054E+005 Log Koc: 5.485 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 = 2.420 (BCF = 263.2) log Kow used: 4.05 (estimated) Volatilization from Water: Henry LC: 1.17E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.58E+010 hours (3.992E+009 days) Half-Life from Model Lake : 1.045E+012 hours (4.355E+010 days) Removal In Wastewater Treatment: Total removal: 32.40 percent Total biodegradation: 0.34 percent Total sludge adsorption: 32.06 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 1.04e-006 1.64 1000 Water 8.43 1.44e+003 1000 Soil 88.7 2.88e+003 1000 Sediment 2.85 1.3e+004 0 Persistence Time: 2.94e+003 hr
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