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2-Methyl-2-propanyl [5-(aminomethyl)-2-pyridinyl]carbamate
CC(C)(C)OC(=O)Nc1ccc(cn1)CN
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)
DFLQTVPEIMTXSZ-UHFFFAOYSA-N
CSID:16347534, http://www.chemspider.com/Chemical-Structure.16347534.html (accessed 15:15, Apr 26, 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) = 1.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 327.64 (Adapted Stein & Brown method) Melting Pt (deg C): 116.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.58E-005 (Modified Grain method) Subcooled liquid VP: 0.000444 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): 2.678e+004 log Kow used: 1.29 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.2925e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.59E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.122E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.29 (KowWin est) Log Kaw used: -12.508 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.798 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5361 Biowin2 (Non-Linear Model) : 0.1972 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2572 (weeks-months) Biowin4 (Primary Survey Model) : 3.5903 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0420 Biowin6 (MITI Non-Linear Model): 0.0279 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7879 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): 0.0592 Pa (0.000444 mm Hg) Log Koa (Koawin est ): 13.798 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.07E-005 Octanol/air (Koa) model: 15.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00183 Mackay model : 0.00404 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.0499 E-12 cm3/molecule-sec Half-Life = 0.267 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.205 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00293 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 430.7 Log Koc: 2.634 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.616E-004 L/mol-sec Kb Half-Life at pH 8: 83.944 years Kb Half-Life at pH 7: 839.445 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.291 (BCF = 1.956) log Kow used: 1.29 (estimated) Volatilization from Water: Henry LC: 7.59E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.153E+011 hours (4.803E+009 days) Half-Life from Model Lake : 1.257E+012 hours (5.239E+010 days) Removal In Wastewater Treatment: Total removal: 1.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 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 9.26e-008 6.41 1000 Water 36.6 900 1000 Soil 63.3 1.8e+003 1000 Sediment 0.0841 8.1e+003 0 Persistence Time: 1.12e+003 hr
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