ChemSpider 2D Image | (2E)-2-(4-{2-[(3,4-Dimethylphenyl)amino]-2-oxoethoxy}-3-methoxybenzylidene)hydrazinecarboxamide | C19H22N4O4

(2E)-2-(4-{2-[(3,4-Dimethylphenyl)amino]-2-oxoethoxy}-3-methoxybenzylidene)hydrazinecarboxamide

  • Molecular FormulaC19H22N4O4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5268360
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-(4-{2-[(3,4-Dimethylphenyl)amino]-2-oxoethoxy}-3-methoxybenzyliden)hydrazincarboxamid [German] [ACD/IUPAC Name]
(2E)-2-(4-{2-[(3,4-Dimethylphenyl)amino]-2-oxoethoxy}-3-methoxybenzylidene)hydrazinecarboxamide [ACD/IUPAC Name]
(2E)-2-(4-{2-[(3,4-Diméthylphényl)amino]-2-oxoéthoxy}-3-méthoxybenzylidène)hydrazinecarboxamide [French] [ACD/IUPAC Name]
Hydrazinecarboxamide, 2-[[4-[2-[(3,4-dimethylphenyl)amino]-2-oxoethoxy]-3-methoxyphenyl]methylene]-, (2E)- [ACD/Index Name]
2-(4-{(E)-[(aminocarbonyl)hydrazono]methyl}-2-methoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
2-{4-[2-(aminocarbonyl)carbohydrazonoyl]-2-methoxyphenoxy}-N-(3,4-dimethylphenyl)acetamide
443962-41-2 [RN]
REUXRILBJVRRKD-UFFVCSGVSA-N

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

AN-988/40679737 [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) =  2.53
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  588.84  (Adapted Stein & Brown method)
        Melting Pt (deg C):  254.10  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  4.59E-013  (Modified Grain method)
        Subcooled liquid VP: 1.44E-010 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):  32.05
           log Kow used: 2.53 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  28.913 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Hydrazines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.99E-019  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  6.980E-015 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  2.53  (KowWin est)
      Log Kaw used:  -17.090  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  19.620
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   1.1545
       Biowin2 (Non-Linear Model)     :   0.9977
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.0605  (months      )
       Biowin4 (Primary Survey Model) :   3.5359  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.2996
       Biowin6 (MITI Non-Linear Model):   0.0698
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -0.7124
     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):  1.92E-008 Pa (1.44E-010 mm Hg)
      Log Koa (Koawin est  ): 19.620
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  156 
           Octanol/air (Koa) model:  1.02E+007 
       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 =  93.1809 E-12 cm3/molecule-sec
          Half-Life =     0.115 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.377 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    :  4759
          Log Koc:  3.678 
    
     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 = 1.250 (BCF = 17.76)
           log Kow used: 2.53 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.99E-019 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 5.662E+015  hours   (2.359E+014 days)
        Half-Life from Model Lake : 6.177E+016  hours   (2.574E+015 days)
    
     Removal In Wastewater Treatment:
        Total removal:               3.18  percent
        Total biodegradation:        0.10  percent
        Total sludge adsorption:     3.08  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       1.21e-008       2.76         1000       
       Water     14.3            1.44e+003    1000       
       Soil      85.5            2.88e+003    1000       
       Sediment  0.13            1.3e+004     0          
         Persistence Time: 2.39e+003 hr
    
    
    
    
                        

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