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N-(6-Amino-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-(2-methoxyethyl)-3-methylbutanamide
O=C(N(C\1=C(/N)N(C(=O)NC/1=O)CCC)CCOC)CC(C)C
InChI=1S/C15H26N4O4/c1-5-6-19-13(16)12(14(21)17-15(19)22)18(7-8-23-4)11(20)9-10(2)3/h10H,5-9,16H2,1-4H3,(H,17,21,22)
YSJPBEVQCSRQFC-UHFFFAOYSA-N
CSID:7788082, http://www.chemspider.com/Chemical-Structure.7788082.html (accessed 12:38, Jun 1, 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) = 0.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 583.31 (Adapted Stein & Brown method) Melting Pt (deg C): 251.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.87E-013 (Modified Grain method) Subcooled liquid VP: 2.01E-010 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): 328.3 log Kow used: 0.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0575e+005 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 : 2.53E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.987E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.13 (KowWin est) Log Kaw used: -14.985 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.115 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6088 Biowin2 (Non-Linear Model) : 0.2219 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4394 (weeks-months) Biowin4 (Primary Survey Model) : 3.6158 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1005 Biowin6 (MITI Non-Linear Model): 0.0137 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1659 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): 2.68E-008 Pa (2.01E-010 mm Hg) Log Koa (Koawin est ): 15.115 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 112 Octanol/air (Koa) model: 320 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 = 82.3447 E-12 cm3/molecule-sec Half-Life = 0.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.559 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) 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 : 75.55 Log Koc: 1.878 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: 0.13 (estimated) Volatilization from Water: Henry LC: 2.53E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.181E+013 hours (1.742E+012 days) Half-Life from Model Lake : 4.561E+014 hours (1.9E+013 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 2.64e-006 3.06 1000 Water 45.5 900 1000 Soil 54.4 1.8e+003 1000 Sediment 0.0886 8.1e+003 0 Persistence Time: 985 hr
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