Try beta.chemspider
4-(Diphenylmethyl)-1-piperazinamine
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)N
InChI=1S/C17H21N3/c18-20-13-11-19(12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14,18H2
QEMWWFHROBPSSM-UHFFFAOYSA-N
CSID:1881166, http://www.chemspider.com/Chemical-Structure.1881166.html (accessed 15:14, 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) = 1.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 388.10 (Adapted Stein & Brown method) Melting Pt (deg C): 147.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.23E-007 (Modified Grain method) Subcooled liquid VP: 1.62E-005 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): 6365 log Kow used: 1.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.9063e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.102E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.73 (KowWin est) Log Kaw used: -11.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.001 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6712 Biowin2 (Non-Linear Model) : 0.6427 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3975 (weeks-months) Biowin4 (Primary Survey Model) : 3.1838 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3898 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2037 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): 0.00216 Pa (1.62E-005 mm Hg) Log Koa (Koawin est ): 13.001 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00139 Octanol/air (Koa) model: 2.46 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0478 Mackay model : 0.1 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 136.0300 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.944 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0739 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.723E+005 Log Koc: 5.236 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 = 0.635 (BCF = 4.317) log Kow used: 1.73 (estimated) Volatilization from Water: Henry LC: 1.31E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.308E+009 hours (3.045E+008 days) Half-Life from Model Lake : 7.973E+010 hours (3.322E+009 days) Removal In Wastewater Treatment: Total removal: 2.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 1.47e-006 1.89 1000 Water 28.3 900 1000 Soil 71.6 1.8e+003 1000 Sediment 0.0836 8.1e+003 0 Persistence Time: 1.29e+003 hr
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