Try beta.chemspider
N,N,N',N'-Tetrakis(2-amino-2-oxoethyl)ethanediamide
C(C(=O)N)N(CC(=O)N)C(=O)C(=O)N(CC(=O)N)CC(=O)N
InChI=1S/C10H16N6O6/c11-5(17)1-15(2-6(12)18)9(21)10(22)16(3-7(13)19)4-8(14)20/h1-4H2,(H2,11,17)(H2,12,18)(H2,13,19)(H2,14,20)
LLKRRFGFIGCNCK-UHFFFAOYSA-N
CSID:3563622, http://www.chemspider.com/Chemical-Structure.3563622.html (accessed 19:27, Jul 10, 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) = -6.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 729.22 (Adapted Stein & Brown method) Melting Pt (deg C): 319.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.31E-017 (Modified Grain method) Subcooled liquid VP: 2.74E-014 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): 1e+006 log Kow used: -6.27 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.12E-032 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.452E-024 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -6.27 (KowWin est) Log Kaw used: -29.894 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.624 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.8579 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1750 (months ) Biowin4 (Primary Survey Model) : 4.6240 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7287 Biowin6 (MITI Non-Linear Model): 0.6055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.4672 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): 3.65E-012 Pa (2.74E-014 mm Hg) Log Koa (Koawin est ): 23.624 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E+005 Octanol/air (Koa) model: 1.03E+011 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 = 49.4882 E-12 cm3/molecule-sec Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.594 Hrs 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 : 27.69 Log Koc: 1.442 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: -6.27 (estimated) Volatilization from Water: Henry LC: 3.12E-032 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.337E+028 hours (1.391E+027 days) Half-Life from Model Lake : 3.641E+029 hours (1.517E+028 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 3.04e-017 5.19 1000 Water 49.5 1.44e+003 1000 Soil 50.4 2.88e+003 1000 Sediment 0.0962 1.3e+004 0 Persistence Time: 1.17e+003 hr
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