Try beta.chemspider
6-Imino-5-methyl-1,6-dihydro-2-pyrimidinol
Cc1cnc([nH]c1=N)O
InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
LRSASMSXMSNRBT-UHFFFAOYSA-N
CSID:58551, http://www.chemspider.com/Chemical-Structure.58551.html (accessed 04:05, May 27, 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) = -0.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 297.14 (Adapted Stein & Brown method) Melting Pt (deg C): 103.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000391 (Modified Grain method) Subcooled liquid VP: 0.00227 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): 2.932e+004 log Kow used: -0.93 (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 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.196E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.93 (KowWin est) Log Kaw used: -5.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.761 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8418 Biowin2 (Non-Linear Model) : 0.9123 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9471 (weeks ) Biowin4 (Primary Survey Model) : 3.7105 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3860 Biowin6 (MITI Non-Linear Model): 0.1852 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9733 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): 0.303 Pa (0.00227 mm Hg) Log Koa (Koawin est ): 4.761 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.91E-006 Octanol/air (Koa) model: 1.42E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000358 Mackay model : 0.000792 Octanol/air (Koa) model: 1.13E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.6760 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.016 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.000575 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 405 Log Koc: 2.607 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: -0.93 (estimated) Volatilization from Water: Henry LC: 4.98E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.315E+004 hours (548 days) Half-Life from Model Lake : 1.436E+005 hours (5982 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 0.225 1.93 1000 Water 46.3 360 1000 Soil 53.4 720 1000 Sediment 0.0847 3.24e+003 0 Persistence Time: 371 hr
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