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N-Methyl-3-[3-(methylamino)-3-oxopropyl]-6-oxo-3-piperidinecarboxamide
CNC(=O)CCC1(CCC(=O)NC1)C(=O)NC
InChI=1S/C11H19N3O3/c1-12-8(15)3-5-11(10(17)13-2)6-4-9(16)14-7-11/h3-7H2,1-2H3,(H,12,15)(H,13,17)(H,14,16)
VXPXEHRHYSNOHR-UHFFFAOYSA-N
CSID:3523936, http://www.chemspider.com/Chemical-Structure.3523936.html (accessed 03:21, May 6, 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) = -2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 525.69 (Adapted Stein & Brown method) Melting Pt (deg C): 224.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.44E-011 (Modified Grain method) Subcooled liquid VP: 6.11E-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): 6.773e+004 log Kow used: -2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.93E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.081E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.01 (KowWin est) Log Kaw used: -15.615 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.605 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0792 Biowin2 (Non-Linear Model) : 0.9974 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2912 (weeks-months) Biowin4 (Primary Survey Model) : 3.9625 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6006 Biowin6 (MITI Non-Linear Model): 0.5557 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6690 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): 8.15E-007 Pa (6.11E-009 mm Hg) Log Koa (Koawin est ): 13.605 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.68 Octanol/air (Koa) model: 9.89 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.993 Mackay model : 0.997 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.6854 E-12 cm3/molecule-sec Half-Life = 0.171 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.048 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.995 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 797.6 Log Koc: 2.902 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: -2.01 (estimated) Volatilization from Water: Henry LC: 5.93E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.534E+014 hours (6.39E+012 days) Half-Life from Model Lake : 1.673E+015 hours (6.971E+013 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 1.8e-008 4.09 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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