Try beta.chemspider
N,N'-Diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine
CC(C)Nc1nc(nc(n1)OC)NC(C)C
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
ISEUFVQQFVOBCY-UHFFFAOYSA-N
CSID:4759, http://www.chemspider.com/Chemical-Structure.4759.html (accessed 13:01, 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) = 3.57 Log Kow (Exper. database match) = 2.99 Exper. Ref: Finizio,A et al. (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 324.15 (Adapted Stein & Brown method) Melting Pt (deg C): 119.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000122 (Modified Grain method) MP (exp database): 91.5 deg C VP (exp database): 2.30E-06 mm Hg at 20 deg C Subcooled liquid VP: 1.05E-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): 90.19 log Kow used: 2.99 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 750 mg/L (25 deg C) Exper. Ref: TOMLIN,C (1994) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 185.31 mg/L Wat Sol (Exper. database match) = 750.00 Exper. Ref: TOMLIN,C (1994) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Triazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.32E-009 atm-m3/mole Group Method: Incomplete Exper Database: 3.17E-09 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.010E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.99 (exp database) Log Kaw used: -6.887 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.877 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3142 Biowin2 (Non-Linear Model) : 0.0006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1274 (months ) Biowin4 (Primary Survey Model) : 3.3255 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0607 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3493 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): 0.0014 Pa (1.05E-005 mm Hg) Log Koa (Koawin est ): 9.877 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00214 Octanol/air (Koa) model: 0.00185 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0718 Mackay model : 0.146 Octanol/air (Koa) model: 0.129 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.9310 E-12 cm3/molecule-sec Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.384 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.109 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 156.5 Log Koc: 2.195 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 = 1.282 (BCF = 19.16) log Kow used: 2.99 (expkow database) Volatilization from Water: Henry LC: 3.17E-009 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.772E+005 hours (1.155E+004 days) Half-Life from Model Lake : 3.024E+006 hours (1.26E+005 days) Removal In Wastewater Treatment: Total removal: 5.61 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.48 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 0.0149 6.77 1000 Water 11.2 1.44e+003 1000 Soil 88.5 2.88e+003 1000 Sediment 0.273 1.3e+004 0 Persistence Time: 2.53e+003 hr
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