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- Double-bond stereo
N-Methyl-2-{(2E)-2-[(methylcarbamoyl)hydrazono]ethylidene}hydrazinecarboxamide
O=C(NC)NN=C/C=N/NC(=O)NC
InChI=1S/C6H12N6O2/c1-7-5(13)11-9-3-4-10-12-6(14)8-2/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14)/b9-3+,10-4?
UMYIQFOTFDHITF-LSTJWXOYSA-N
CSID:7838739, http://www.chemspider.com/Chemical-Structure.7838739.html (accessed 10:40, May 13, 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) = -0.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 398.02 (Adapted Stein & Brown method) Melting Pt (deg C): 156.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.22E-007 (Modified Grain method) Subcooled liquid VP: 9.29E-006 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): 9340 log Kow used: -0.75 (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: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.22E-020 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.190E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.75 (KowWin est) Log Kaw used: -17.671 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.921 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6522 Biowin2 (Non-Linear Model) : 0.5414 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7568 (weeks ) Biowin4 (Primary Survey Model) : 3.5589 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0160 Biowin6 (MITI Non-Linear Model): 0.0318 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3452 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): 0.00124 Pa (9.29E-006 mm Hg) Log Koa (Koawin est ): 16.921 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00242 Octanol/air (Koa) model: 2.05E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0804 Mackay model : 0.162 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.8876 E-12 cm3/molecule-sec Half-Life = 1.082 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 12.981 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.121 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.2 Log Koc: 2.094 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: -0.75 (estimated) Volatilization from Water: Henry LC: 5.22E-020 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.587E+016 hours (6.612E+014 days) Half-Life from Model Lake : 1.731E+017 hours (7.214E+015 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 1.36e-012 26 1000 Water 38.9 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 580 hr
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