- Double-bond stereo
(E,E)-N,N'-(3,3'-Dimethyl-4,4'-biphenyldiyl)bis[1-(4-ethoxyphenyl)methanimine]
O(c1ccc(cc1)\C=N\c4ccc(c3ccc(/N=C/c2ccc(OCC)cc2)c(c3)C)cc4C)CC CopyCopied
InChI=1S/C32H32N2O2/c1-5-35-29-13-7-25(8-14-29)21-33-31-17-11-27(19-23(31)3)28-12-18-32(24(4)20-28)34-22-26-9-15-30(16-10-26)36-6-2/h7-22H,5-6H2,1-4H3/b33-21+,34-22+ CopyCopied
TXEUCMBBHPEYEF-WXGDAXOSSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
[1,1'-biphenyl]-4,4'-diamine, N4,N4'-bis[(1E)-(4-ethoxyphenyl)methylene]-3,3'-dimethyl-
N,N'-Bis[(E)-(4-ethoxyphenyl)methylene]-3,3'-dimethylbiphenyl-4,4'-diamine
(4-ethoxybenzylidene){4'-[(4-ethoxybenzylidene)amino]-3,3'-dimethyl-4-biphenylyl}amine
[1,1'-biphenyl]-4,4'-diamine, N,N'-bis[(4-ethoxyphenyl)methylene]-3,3'-dimethyl-
1-[(1E)-2-(4-{4-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-3-methylphenyl}-2-methylphenyl)-2-azavinyl]-4-ethoxybenzene
N-(4-ethoxybenzylidene)-N-{4'-[(4-ethoxybenzylidene)amino]-3,3'-dimethyl[1,1'-biphenyl]-4-yl}amine
N*4*,N*4'*-Bis-(4-ethoxy-benzylidene)-3,3'-dimethyl-biphenyl-4,4'-diamine
N,N'-bis(4-ethoxybenzylidene)-3,3'-dimethyl-4,4'-biphenyldiamine
N,N'-bis[(E)-(4-ethoxyphenyl)methylidene]-3,3'-dimethylbiphenyl-4,4'-diamine
N-[(E)-(4-ethoxyphenyl)methylidene]-N-(4'-{[(E)-(4-ethoxyphenyl)methylidene]amino}-3,3'-dimethyl[1,1'-biphenyl]-4-yl)amine
N4,N4'-bis[(E)-(4-ethoxyphenyl)methylidene]-3,3'-dimethyl[1,1'-biphenyl]-4,4'-diamine
AE-848/32963014 [DBID]
BAS 00074548 [DBID]
CBDivE_008820 [DBID]
ZINC02072574 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 8.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 603.54 (Adapted Stein & Brown method) Melting Pt (deg C): 260.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.56E-013 (Modified Grain method) Subcooled liquid VP: 5.96E-011 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): 6.609e-005 log Kow used: 8.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6262e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.480E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.41 (KowWin est) Log Kaw used: -7.371 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8938 Biowin2 (Non-Linear Model) : 0.8689 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8800 (months ) Biowin4 (Primary Survey Model) : 3.1773 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0372 Biowin6 (MITI Non-Linear Model): 0.0076 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9284 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): 7.95E-009 Pa (5.96E-011 mm Hg) Log Koa (Koawin est ): 15.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 378 Octanol/air (Koa) model: 1.48E+003 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 = 87.6548 E-12 cm3/molecule-sec Half-Life = 0.122 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.464 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 : 4.666E+008 Log Koc: 8.669 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 = 2.875 (BCF = 749.9) log Kow used: 8.41 (estimated) Volatilization from Water: Henry LC: 1.04E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.229E+006 hours (5.121E+004 days) Half-Life from Model Lake : 1.341E+007 hours (5.587E+005 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0249 2.93 1000 Water 1.37 1.44e+003 1000 Soil 31.4 2.88e+003 1000 Sediment 67.2 1.3e+004 0 Persistence Time: 4.84e+003 hr
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