ChemSpider 2D Image | N-(5-Chloro-2-methoxyphenyl)-2-oxo-2-[(2E)-2-(3-pyridinylmethylene)hydrazino]acetamide | C15H13ClN4O3

N-(5-Chloro-2-methoxyphenyl)-2-oxo-2-[(2E)-2-(3-pyridinylmethylene)hydrazino]acetamide

  • Molecular FormulaC15H13ClN4O3
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5277482

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetic acid, 2-[(5-chloro-2-methoxyphenyl)amino]-2-oxo-, 2-[(1E)-3-pyridinylmethylene]hydrazide [ACD/Index Name]
N-(5-Chlor-2-methoxyphenyl)-2-oxo-2-[(2E)-2-(3-pyridinylmethylen)hydrazino]acetamid [German] [ACD/IUPAC Name]
N-(5-Chloro-2-methoxyphenyl)-2-oxo-2-[(2E)-2-(3-pyridinylmethylene)hydrazino]acetamide [ACD/IUPAC Name]
N-(5-Chloro-2-méthoxyphényl)-2-oxo-2-[(2E)-2-(3-pyridinylméthylène)hydrazino]acétamide [French] [ACD/IUPAC Name]
357319-18-7 [RN]
N-(5-CHLORO-2-METHOXYPHENYL)-1-{N`-[(1E)-(PYRIDIN-3-YL)METHYLIDENE]HYDRAZINECARBONYL}FORMAMIDE
N-(5-CHLORO-2-METHOXYPHENYL)-1-{N`-[(1E)-PYRIDIN-3-YLMETHYLIDENE]HYDRAZINECARBONYL}FORMAMIDE
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]acetamide
N-(5-CHLORO-2-METHOXYPHENYL)-N'-(PYRIDIN-3-YLMETHYLIDENEAMINO)OXAMIDE
N-(5-chloro-2-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    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) =  1.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  562.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  241.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.12E-012  (Modified Grain method)
    Subcooled liquid VP: 6.93E-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):  1.012e+004
       log Kow used: 1.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  93698 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.350E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.39  (KowWin est)
  Log Kaw used:  -14.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.741
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5942
   Biowin2 (Non-Linear Model)     :   0.3940
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9307  (months      )
   Biowin4 (Primary Survey Model) :   3.4661  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0649
   Biowin6 (MITI Non-Linear Model):   0.0118
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0295
 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):  9.24E-008 Pa (6.93E-010 mm Hg)
  Log Koa (Koawin est  ): 15.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  32.5 
       Octanol/air (Koa) model:  1.35E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.1047 E-12 cm3/molecule-sec
      Half-Life =     0.305 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.656 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  505.3
      Log Koc:  2.704 

 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 = 0.373 (BCF = 2.362)
       log Kow used: 1.39 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.798E+012  hours   (4.083E+011 days)
    Half-Life from Model Lake : 1.069E+014  hours   (4.454E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.85  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       2.15e-006       7.31         1000       
   Water     36.9            1.44e+003    1000       
   Soil      63              2.88e+003    1000       
   Sediment  0.0896          1.3e+004     0          
     Persistence Time: 1.43e+003 hr

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