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1-Benzyl-N-cyclohexyl-3-phenyl-4-piperidinamine
c1ccc(cc1)CN2CCC(C(C2)c3ccccc3)NC4CCCCC4
InChI=1S/C24H32N2/c1-4-10-20(11-5-1)18-26-17-16-24(25-22-14-8-3-9-15-22)23(19-26)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-25H,3,8-9,14-19H2
GGBZYOBTRJQSDZ-UHFFFAOYSA-N
CSID:4988483, http://www.chemspider.com/Chemical-Structure.4988483.html (accessed 20:54, Apr 24, 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) = 5.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 452.12 (Adapted Stein & Brown method) Melting Pt (deg C): 175.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2E-008 (Modified Grain method) Subcooled liquid VP: 4.35E-007 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): 0.5527 log Kow used: 5.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.827 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.957E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.93 (KowWin est) Log Kaw used: -8.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.314 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8410 Biowin2 (Non-Linear Model) : 0.7543 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1678 (months ) Biowin4 (Primary Survey Model) : 3.0414 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1769 Biowin6 (MITI Non-Linear Model): 0.0034 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5493 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): 5.8E-005 Pa (4.35E-007 mm Hg) Log Koa (Koawin est ): 14.314 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0517 Octanol/air (Koa) model: 50.6 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.651 Mackay model : 0.805 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 234.5301 E-12 cm3/molecule-sec Half-Life = 0.046 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.547 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.728 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.426E+006 Log Koc: 6.154 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 = 3.868 (BCF = 7381) log Kow used: 5.93 (estimated) Volatilization from Water: Henry LC: 1.01E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.082E+007 hours (4.509E+005 days) Half-Life from Model Lake : 1.181E+008 hours (4.919E+006 days) Removal In Wastewater Treatment: Total removal: 91.83 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.06 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 0.00087 1.09 1000 Water 2.62 1.44e+003 1000 Soil 50.7 2.88e+003 1000 Sediment 46.7 1.3e+004 0 Persistence Time: 4.99e+003 hr
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