ChemSpider 2D Image | 2-{2-Methoxy-4-[(E)-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazono)methyl]phenoxy}acetamide | C19H19N7O5

2-{2-Methoxy-4-[(E)-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazono)methyl]phenoxy}acetamide

  • Molecular FormulaC19H19N7O5
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5262793

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{2-Methoxy-4-[(E)-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazono)methyl]phenoxy}acetamid [German] [ACD/IUPAC Name]
2-{2-Methoxy-4-[(E)-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazono)methyl]phenoxy}acetamide [ACD/IUPAC Name]
2-{2-Méthoxy-4-[(E)-({2-[4-(1H-tétrazol-1-yl)phénoxy]acétyl}hydrazono)méthyl]phénoxy}acétamide [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-(1H-tetrazol-1-yl)phenoxy]-, 2-[(1E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
2-(2-Methoxy-4-{[2-(4-tetrazol-1-yl-phenoxy)-acetyl]-hydrazonomethyl}-phenoxy)-acetamide
2-[2-methoxy-4-[(E)-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenoxy]acetamide
2-{2-methoxy-4-[(E)-(2-{[4-(1H-tetrazol-1-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenoxy}acetamide
348586-28-7 [RN]

    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) =  -1.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  687.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  300.19  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.05E-016  (Modified Grain method)
    Subcooled liquid VP: 3.6E-013 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):  843
       log Kow used: -1.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  76468 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.82E-022  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.025E-019 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.06  (KowWin est)
  Log Kaw used:  -20.128  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.068
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1509
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0305  (months      )
   Biowin4 (Primary Survey Model) :   3.6708  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3141
   Biowin6 (MITI Non-Linear Model):   0.0574
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0443
 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):  4.8E-011 Pa (3.6E-013 mm Hg)
  Log Koa (Koawin est  ): 19.068
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.25E+004 
       Octanol/air (Koa) model:  2.87E+006 
   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 =  78.4087 E-12 cm3/molecule-sec
      Half-Life =     0.136 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.637 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    :  5.188E+005
      Log Koc:  5.715 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -1.06 (estimated)

 Volatilization from Water:
    Henry LC:  1.82E-022 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.635E+018  hours   (2.765E+017 days)
    Half-Life from Model Lake : 7.238E+019  hours   (3.016E+018 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       1.19e-008       3.27         1000       
   Water     49.4            1.44e+003    1000       
   Soil      50.5            2.88e+003    1000       
   Sediment  0.0961          1.3e+004     0          
     Persistence Time: 1.17e+003 hr

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