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- Double-bond stereo
6-[(2Z)-2-Benzylidenehydrazino]-N,N,N',N'-tetramethyl-2,4-pyrimidinediamine
CN(C)c1cc(nc(n1)N(C)C)N/N=C\c2ccccc2
InChI=1S/C15H20N6/c1-20(2)14-10-13(17-15(18-14)21(3)4)19-16-11-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,17,18,19)/b16-11-
APGLINRJTWKNDT-WJDWOHSUSA-N
CSID:4492288, http://www.chemspider.com/Chemical-Structure.4492288.html (accessed 15:12, May 9, 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) = 2.36 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 400.58 (Adapted Stein & Brown method) Melting Pt (deg C): 160.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.28E-007 (Modified Grain method) Subcooled liquid VP: 8.05E-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): 146.1 log Kow used: 2.36 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 85.079 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.00E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.400E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.36 (KowWin est) Log Kaw used: -8.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.447 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3297 Biowin2 (Non-Linear Model) : 0.0247 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0832 (months ) Biowin4 (Primary Survey Model) : 2.8664 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2623 Biowin6 (MITI Non-Linear Model): 0.0018 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9532 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): 0.00107 Pa (8.05E-006 mm Hg) Log Koa (Koawin est ): 10.447 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0028 Octanol/air (Koa) model: 0.00687 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0917 Mackay model : 0.183 Octanol/air (Koa) model: 0.355 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 206.9992 E-12 cm3/molecule-sec Half-Life = 0.052 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.620 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.137 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5407 Log Koc: 3.733 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 = 1.117 (BCF = 13.08) log Kow used: 2.36 (estimated) Volatilization from Water: Henry LC: 2E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.937E+006 hours (2.057E+005 days) Half-Life from Model Lake : 5.385E+007 hours (2.244E+006 days) Removal In Wastewater Treatment: Total removal: 2.76 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.66 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 0.00133 1.24 1000 Water 16.7 1.44e+003 1000 Soil 83.2 2.88e+003 1000 Sediment 0.111 1.3e+004 0 Persistence Time: 2.2e+003 hr
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