[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2,5,5-tetramethyl-1-pyrrolidinyl]oxidanyl
CC1(CC(C(N1[O])(C)C)N2C(=O)C=CC2=O)C CopyCopied
InChI=1S/C12H17N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8H,7H2,1-4H3 CopyCopied
HGNHBHXFYUYUIA-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
[3-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)-2,2,5,5-tetramethylpyrrolidin-1-yl]oxidanyl
2,2',5,5'-Tetramethyl-3-maleimidopyrrolidinyl-N-oxyl
3-(Maleimidomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy
3-(Maleimidomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl
3-Maleimido-1-oxyl-2,2,5,5-tetramethylpyrrolidine
3-Maleimido-2,2,5,5-tetramethyl-1-pyrrolidinyloxy, free radical
3-Maleimidoproxyl
3-Maleimido-PROXYL
5389-27-5 [RN]
5-MSL
MAL-3
MAL-5
N-(1-Oxyl-2,2,5,5-tetramethyl-3-pyrrolidinyl)maleimide
N-1-Otpm
253375_ALDRICH [DBID]
Nem-110 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 481.01 (Adapted Stein & Brown method) Melting Pt (deg C): 203.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.1E-012 (Modified Grain method) Subcooled liquid VP: 7.07E-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): 5789 log Kow used: 0.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4353e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.52E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.929E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.79 (KowWin est) Log Kaw used: -12.207 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.997 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2662 Biowin2 (Non-Linear Model) : 0.0214 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2483 (months ) Biowin4 (Primary Survey Model) : 3.1971 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1847 Biowin6 (MITI Non-Linear Model): 0.0351 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3783 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): 9.43E-008 Pa (7.07E-010 mm Hg) Log Koa (Koawin est ): 12.997 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 31.8 Octanol/air (Koa) model: 2.44 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.5310 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.387 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 513 Log Koc: 2.710 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 = 0.500 (BCF = 3.162) log Kow used: 0.79 (estimated) Volatilization from Water: Henry LC: 1.52E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.946E+010 hours (2.477E+009 days) Half-Life from Model Lake : 6.487E+011 hours (2.703E+010 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.000281 2.73 1000 Water 45.4 1.44e+003 1000 Soil 54.5 2.88e+003 1000 Sediment 0.0937 1.3e+004 0 Persistence Time: 1.24e+003 hr
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