Try beta.chemspider
N,N'-Bis(7-methyl-1,2,3,4-tetrahydro-9-acridinyl)-1,5-pentanediamine
n2c1c(cc(cc1)C)c(c3c2CCCC3)NCCCCCNc4c6c(nc5c4CCCC5)ccc(c6)C
InChI=1S/C33H40N4/c1-22-14-16-30-26(20-22)32(24-10-4-6-12-28(24)36-30)34-18-8-3-9-19-35-33-25-11-5-7-13-29(25)37-31-17-15-23(2)21-27(31)33/h14-17,20-21H,3-13,18-19H2,1-2H3,(H,34,36)(H,35,37)
XTXZEQMFIPSJKW-UHFFFAOYSA-N
CSID:9423947, http://www.chemspider.com/Chemical-Structure.9423947.html (accessed 05:22, Jun 1, 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) = 9.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 653.54 (Adapted Stein & Brown method) Melting Pt (deg C): 284.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.87E-015 (Modified Grain method) Subcooled liquid VP: 2.89E-012 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): 3.213e-007 log Kow used: 9.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.4201e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.809E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.70 (KowWin est) Log Kaw used: -15.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 24.971 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3735 Biowin2 (Non-Linear Model) : 0.0129 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3913 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5089 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.8336 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.8729 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): 3.85E-010 Pa (2.89E-012 mm Hg) Log Koa (Koawin est ): 24.971 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.79E+003 Octanol/air (Koa) model: 2.3E+012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 236.1267 E-12 cm3/molecule-sec Half-Life = 0.045 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.544 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1E+010 Log Koc: 10.036 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 = 1.109 (BCF = 12.87) log Kow used: 9.70 (estimated) Volatilization from Water: Henry LC: 1.31E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.921E+013 hours (4.134E+012 days) Half-Life from Model Lake : 1.082E+015 hours (4.509E+013 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 7.54e-006 1.09 1000 Water 0.586 4.32e+003 1000 Soil 52.6 8.64e+003 1000 Sediment 46.8 3.89e+004 0 Persistence Time: 1.5e+004 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight