Try beta.chemspider
4-(Methoxymethyl)-6-methyl-2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]nicotinamide
Cc1cc(c(c(n1)NC2CC(NC(C2)(C)C)(C)C)C(=O)N)COC
InChI=1S/C18H30N4O2/c1-11-7-12(10-24-6)14(15(19)23)16(20-11)21-13-8-17(2,3)22-18(4,5)9-13/h7,13,22H,8-10H2,1-6H3,(H2,19,23)(H,20,21)
AVIPBDUIHZPFPH-UHFFFAOYSA-N
CSID:4462040, http://www.chemspider.com/Chemical-Structure.4462040.html (accessed 21:38, Jun 5, 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) = 1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 492.88 (Adapted Stein & Brown method) Melting Pt (deg C): 209.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.6E-010 (Modified Grain method) Subcooled liquid VP: 4.15E-008 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): 324.1 log Kow used: 1.61 (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: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.32E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.246E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.61 (KowWin est) Log Kaw used: -18.023 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 19.633 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0966 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5734 (recalcitrant) Biowin4 (Primary Survey Model) : 3.1016 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1295 Biowin6 (MITI Non-Linear Model): 0.0011 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1899 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): 5.53E-006 Pa (4.15E-008 mm Hg) Log Koa (Koawin est ): 19.633 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.542 Octanol/air (Koa) model: 1.05E+007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.951 Mackay model : 0.977 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 150.3214 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.854 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.964 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 746.6 Log Koc: 2.873 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 = 0.540 (BCF = 3.464) log Kow used: 1.61 (estimated) Volatilization from Water: Henry LC: 2.32E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.615E+016 hours (1.923E+015 days) Half-Life from Model Lake : 5.035E+017 hours (2.098E+016 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.92 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 4.35e-012 1.71 1000 Water 34.4 4.32e+003 1000 Soil 65.5 8.64e+003 1000 Sediment 0.0965 3.89e+004 0 Persistence Time: 2.21e+003 hr
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