ChemSpider 2D Image | N'-[(1E,2E)-3-(2-Furyl)-2-methyl-2-propen-1-ylidene]-2-phenyl-4-quinolinecarbohydrazide | C24H19N3O2

N'-[(1E,2E)-3-(2-Furyl)-2-methyl-2-propen-1-ylidene]-2-phenyl-4-quinolinecarbohydrazide

  • Molecular FormulaC24H19N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5266474
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Quinolinecarboxylic acid, 2-phenyl-, 2-[(1E,2E)-3-(2-furanyl)-2-methyl-2-propen-1-ylidene]hydrazide [ACD/Index Name]
N'-[(1E,2E)-3-(2-Furyl)-2-methyl-2-propen-1-yliden]-2-phenyl-4-chinolincarbohydrazid [German] [ACD/IUPAC Name]
N'-[(1E,2E)-3-(2-Furyl)-2-méthyl-2-propén-1-ylidène]-2-phényl-4-quinoléinecarbohydrazide [French] [ACD/IUPAC Name]
N'-[(1E,2E)-3-(2-Furyl)-2-methyl-2-propen-1-ylidene]-2-phenyl-4-quinolinecarbohydrazide [ACD/IUPAC Name]
315205-16-4 [RN]
KJRSOBPNPHVCBC-HKGZSDAISA-N
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]-2-phenylquinoline-4-carboxamide
N-[[(E)-3-(FURAN-2-YL)-2-METHYLPROP-2-ENYLIDENE]AMINO]-2-PHENYLQUINOLINE-4-CARBOXAMIDE
N'-[3-(2-furyl)-2-methyl-2-propenylidene]-2-phenyl-4-quinolinecarbohydrazide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AF-399/14139001 [DBID]
BAS 01808812 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    No predicted properties have been calculated for this compound.

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                            
     Log Octanol-Water Partition Coef (SRC):
        Log Kow (KOWWIN v1.67 estimate) =  5.38
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  596.52  (Adapted Stein & Brown method)
        Melting Pt (deg C):  257.69  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  2.62E-013  (Modified Grain method)
        Subcooled liquid VP: 9.09E-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):  0.1016
           log Kow used: 5.38 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1.9014 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   5.34E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.294E-012 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  5.38  (KowWin est)
      Log Kaw used:  -12.661  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  18.041
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.6940
       Biowin2 (Non-Linear Model)     :   0.3524
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.3783  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.3023  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.3599
       Biowin6 (MITI Non-Linear Model):   0.0009
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -0.5053
     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):  1.21E-008 Pa (9.09E-011 mm Hg)
      Log Koa (Koawin est  ): 18.041
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  248 
           Octanol/air (Koa) model:  2.7E+005 
       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 = 143.9501 E-12 cm3/molecule-sec
          Half-Life =     0.074 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.892 Hrs
       Ozone Reaction:
          OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
          Half-Life =     0.013 Days (at 7E11 mol/cm3)
          Half-Life =     18.599 Min
       Reaction With Nitrate Radicals May Be Important!
       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    :  9.454E+006
          Log Koc:  6.976 
    
     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 = 3.442 (BCF = 2766)
           log Kow used: 5.38 (estimated)
    
     Volatilization from Water:
        Henry LC:  5.34E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 2.141E+011  hours   (8.922E+009 days)
        Half-Life from Model Lake : 2.336E+012  hours   (9.733E+010 days)
    
     Removal In Wastewater Treatment:
        Total removal:              86.57  percent
        Total biodegradation:        0.74  percent
        Total sludge adsorption:    85.83  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       0.000449        0.264        1000       
       Water     6.24            900          1000       
       Soil      62.2            1.8e+003     1000       
       Sediment  31.6            8.1e+003     0          
         Persistence Time: 2.53e+003 hr
    
    
    
    
                        

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