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N-Ethyl-N'-isopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CCNc1nc(nc(n1)OC)NC(C)C
InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
PXWUKZGIHQRDHL-UHFFFAOYSA-N
CSID:14620, http://www.chemspider.com/Chemical-Structure.14620.html (accessed 20:39, Apr 25, 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) = 3.15 Log Kow (Exper. database match) = 2.69 Exper. Ref: Finizio,A et al. (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 318.87 (Adapted Stein & Brown method) Melting Pt (deg C): 117.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.69E-005 (Modified Grain method) VP (exp database): 2.90E-06 mm Hg at 20 deg C Subcooled liquid VP: 2.38E-005 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 193 log Kow used: 2.69 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1800 mg/L (20 deg C) Exper. Ref: BAILEY,GW ET AL. (1968) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 357.07 mg/L Wat Sol (Exper. database match) = 1800.00 Exper. Ref: BAILEY,GW ET AL. (1968) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Triazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.26E-009 atm-m3/mole Group Method: Incomplete Exper Database: 4.48E-10 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.252E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.69 (exp database) Log Kaw used: -7.737 (exp database) Log Koa (KOAWIN v1.10 estimate): 10.427 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3209 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1584 (months ) Biowin4 (Primary Survey Model) : 3.3458 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0807 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0779 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): 0.00317 Pa (2.38E-005 mm Hg) Log Koa (Koawin est ): 10.427 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000945 Octanol/air (Koa) model: 0.00656 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.033 Mackay model : 0.0703 Octanol/air (Koa) model: 0.344 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.4079 E-12 cm3/molecule-sec Half-Life = 0.377 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.518 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0517 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 101.3 Log Koc: 2.005 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 = 1.051 (BCF = 11.25) log Kow used: 2.69 (expkow database) Volatilization from Water: Henry LC: 4.48E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.9E+006 hours (7.915E+004 days) Half-Life from Model Lake : 2.072E+007 hours (8.634E+005 days) Removal In Wastewater Treatment: Total removal: 3.77 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.66 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 0.00241 9.04 1000 Water 12.8 1.44e+003 1000 Soil 87.1 2.88e+003 1000 Sediment 0.16 1.3e+004 0 Persistence Time: 2.49e+003 hr
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