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N~2~,N~6~-Dihydroxy-2,6-pyridinedicarboximidamide
O\N=C(/N)c1cccc(n1)C(\N)=N\O
InChI=1S/C7H9N5O2/c8-6(11-13)4-2-1-3-5(10-4)7(9)12-14/h1-3,13-14H,(H2,8,11)(H2,9,12)
LNNDGURTIWTXDX-UHFFFAOYSA-N
CSID:10570287, http://www.chemspider.com/Chemical-Structure.10570287.html (accessed 15:49, Jun 16, 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) = -2.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 407.90 (Adapted Stein & Brown method) Melting Pt (deg C): 151.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.28E-009 (Modified Grain method) Subcooled liquid VP: 4.47E-008 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: -2.27 (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: Aliphatic Amines Benzyl Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.28E-022 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.855E-016 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -2.27 (KowWin est) Log Kaw used: -19.873 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.603 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5001 Biowin2 (Non-Linear Model) : 0.1977 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5537 (weeks-months) Biowin4 (Primary Survey Model) : 3.5474 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1226 Biowin6 (MITI Non-Linear Model): 0.0388 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1909 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): 5.96E-006 Pa (4.47E-008 mm Hg) Log Koa (Koawin est ): 17.603 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.503 Octanol/air (Koa) model: 9.84E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.948 Mackay model : 0.976 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.7959 E-12 cm3/molecule-sec Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.931 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.962 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8505 Log Koc: 3.930 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: -2.27 (estimated) Volatilization from Water: Henry LC: 3.28E-022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.494E+018 hours (1.039E+017 days) Half-Life from Model Lake : 2.72E+019 hours (1.134E+018 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 1.06e-013 5.86 1000 Water 46.5 900 1000 Soil 53.5 1.8e+003 1000 Sediment 0.0892 8.1e+003 0 Persistence Time: 973 hr
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