1,1'-(1,2-Ethanediyl)diurea
O=C(NCCNC(=O)N)N CopyCopied
InChI=1S/C4H10N4O2/c5-3(9)7-1-2-8-4(6)10/h1-2H2,(H3,5,7,9)(H3,6,8,10) CopyCopied
ZUTJDJAXWKOOOI-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,1'-Ethane-1,2-diyldiurea
217-441-1 [EINECS]
Ethylene diurea
urea, N,N''-1,2-ethanediylbis-
(2-Ureido-Ethyl)-Urea
1, 1'-Ethylenebisurea
1,1'-Ethylenebisurea
1,1'-Ethylenediurea
1,2-Ethanediamine, N, N'-bis(aminocarbonyl)-
1,2-Ethanediamine, N,N'-bis(aminocarbonyl)-
1852-14-8 [RN]
4-04-00-01222 (Beilstein Handbook Reference) [Beilstein]
Ethanediurea
Ethylenediurea
Monoethylenediurea
N,N''-1,2-Ethanediylbisurea
N,N''-1,2-ETHANEDIYLBIS-UREA
N-{2-[(aminocarbonyl)amino]ethyl}urea
No CAS
Urea, 1,1'-ethylenedi-
Urea, N,N''-1, 2-ethanediylbis-
AI3-61328 [DBID]
BAS 00114554 [DBID]
BRN 1706969 [DBID]
MFCD00025458 [DBID]
NSC 47006 [DBID]
NSC47006 [DBID]
ZINC01679001 [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) = -2.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 348.46 (Adapted Stein & Brown method) Melting Pt (deg C): 138.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.04E-005 (Modified Grain method) Subcooled liquid VP: 0.000144 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): 5.484e+005 log Kow used: -2.52 (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 Ureas(substituted) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.30E-021 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.647E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.52 (KowWin est) Log Kaw used: -18.525 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.005 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6780 Biowin2 (Non-Linear Model) : 0.7178 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8762 (weeks ) Biowin4 (Primary Survey Model) : 3.6369 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3762 Biowin6 (MITI Non-Linear Model): 0.3027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8881 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): 0.0192 Pa (0.000144 mm Hg) Log Koa (Koawin est ): 16.005 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000156 Octanol/air (Koa) model: 2.48E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00561 Mackay model : 0.0123 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.4203 E-12 cm3/molecule-sec Half-Life = 0.797 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.564 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00898 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 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: -2.52 (estimated) Volatilization from Water: Henry LC: 7.3E-021 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.696E+016 hours (4.04E+015 days) Half-Life from Model Lake : 1.058E+018 hours (4.407E+016 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 1.73e-013 19.1 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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