N-{[1-(2-Naphthylmethyl)-4-piperidinyl]carbamoyl}benzamide
c1ccc(cc1)C(=O)NC(=O)NC2CCN(CC2)Cc3ccc4ccccc4c3
InChI=1S/C24H25N3O2/c28-23(20-7-2-1-3-8-20)26-24(29)25-22-12-14-27(15-13-22)17-18-10-11-19-6-4-5-9-21(19)16-18/h1-11,16,22H,12-15,17H2,(H2,25,26,28,29)
AQFFJGJVFJCQQL-UHFFFAOYSA-N
CSID:65002, http://www.chemspider.com/Chemical-Structure.65002.html (accessed 21:20, Apr 19, 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) = 4.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 645.58 (Adapted Stein & Brown method) Melting Pt (deg C): 280.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7E-015 (Modified Grain method) Subcooled liquid VP: 4.68E-012 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): 0.3291 log Kow used: 4.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.02341 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.89E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.084E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.74 (KowWin est) Log Kaw used: -14.112 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.852 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4859 Biowin2 (Non-Linear Model) : 0.0513 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1101 (months ) Biowin4 (Primary Survey Model) : 3.0056 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3912 Biowin6 (MITI Non-Linear Model): 0.0006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6137 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): 6.24E-010 Pa (4.68E-012 mm Hg) Log Koa (Koawin est ): 18.852 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.81E+003 Octanol/air (Koa) model: 1.75E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 168.3642 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.762 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.457E+005 Log Koc: 5.539 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 = 2.948 (BCF = 887.4) log Kow used: 4.74 (estimated) Volatilization from Water: Henry LC: 1.89E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.098E+012 hours (2.541E+011 days) Half-Life from Model Lake : 6.652E+013 hours (2.772E+012 days) Removal In Wastewater Treatment: Total removal: 67.79 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.18 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 0.0003 1.52 1000 Water 7.08 1.44e+003 1000 Soil 80.8 2.88e+003 1000 Sediment 12.1 1.3e+004 0 Persistence Time: 3.23e+003 hr
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