Try beta.chemspider
N~4~-Ethyl-N~4~-(1-naphthyl)-N~6~-(2,2,6,6-tetramethyl-4-piperidinyl)-4,5,6-pyrimidinetriamine
CCN(c1cccc2c1cccc2)c3c(c(ncn3)NC4CC(NC(C4)(C)C)(C)C)N
InChI=1S/C25H34N6/c1-6-31(20-13-9-11-17-10-7-8-12-19(17)20)23-21(26)22(27-16-28-23)29-18-14-24(2,3)30-25(4,5)15-18/h7-13,16,18,30H,6,14-15,26H2,1-5H3,(H,27,28,29)
GGNXXCRWGFHNAM-UHFFFAOYSA-N
CSID:12072960, http://www.chemspider.com/Chemical-Structure.12072960.html (accessed 23:41, May 18, 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) = 3.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 572.11 (Adapted Stein & Brown method) Melting Pt (deg C): 246.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.55E-012 (Modified Grain method) Subcooled liquid VP: 3.92E-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): 24.97 log Kow used: 3.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 93.34 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.00E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.419E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.49 (KowWin est) Log Kaw used: -16.911 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 20.401 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3385 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3496 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4755 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5957 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.6215 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): 5.23E-008 Pa (3.92E-010 mm Hg) Log Koa (Koawin est ): 20.401 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 57.4 Octanol/air (Koa) model: 6.18E+007 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 = 336.7267 E-12 cm3/molecule-sec Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.871 Min 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 : 1.567E+006 Log Koc: 6.195 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 = 1.988 (BCF = 97.24) log Kow used: 3.49 (estimated) Volatilization from Water: Henry LC: 3E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.993E+015 hours (1.664E+014 days) Half-Life from Model Lake : 4.356E+016 hours (1.815E+015 days) Removal In Wastewater Treatment: Total removal: 12.81 percent Total biodegradation: 0.18 percent Total sludge adsorption: 12.62 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 2.04e-009 0.762 1000 Water 4.83 4.32e+003 1000 Soil 94.7 8.64e+003 1000 Sediment 0.511 3.89e+004 0 Persistence Time: 7.56e+003 hr
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