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Search term: MF = 'C_{19}H_{20}N_{4}O_{4}'
ChemSpider 2D Image | N'~1~,N'~3~-Bis[(E)-(4-methoxyphenyl)methylene]malonohydrazide | C19H20N4O4

N'1,N'3-Bis[(E)-(4-methoxyphenyl)methylene]malonohydrazide

  • Molecular FormulaC19H20N4O4
  • Average mass368.387 Da
  • Monoisotopic mass368.148468 Da
  • ChemSpider ID7832845

  • Double-bond stereo - Double-bond stereo

More details:

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

N'1,N'3-Bis[(E)-(4-methoxyphenyl)methylen]malonohydrazid [German] [ACD/IUPAC Name]
N'1,N'3-Bis[(E)-(4-methoxyphenyl)methylene]malonohydrazide [ACD/IUPAC Name]
N'1,N'3-Bis[(E)-(4-méthoxyphényl)méthylène]malonohydrazide [French] [ACD/IUPAC Name]
Propanedioic acid, bis[2-[(1E)-(4-methoxyphenyl)methylene]hydrazide] [ACD/Index Name]
73692-65-6 [RN]
N-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]-N'-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]propane-1,3-diamide
N'1,N'3-bis[(1E)-(4-methoxyphenyl)methylene]malonohydrazide
N'1,N'3-bis[(E)-(4-methoxyphenyl)methylidene]propanedihydrazide
N'1,N'3-Bis(4-methoxybenzylidene)malonohydrazide
Propanedioic acid, bis(((4-methoxyphenyl)methylene)hydrazide)
More...

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

A0444/0020460 [DBID]
AIDS014012 [DBID]
AIDS-014012 [DBID]
NSC 204381 [DBID]
NSC204381 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 101.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 142.18
ACD/KOC (pH 5.5): 1209.52
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 142.02
ACD/KOC (pH 7.4): 1208.15
Polar Surface Area: 101 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  2.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  602.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  260.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.75E-013  (Modified Grain method)
    Subcooled liquid VP: 6.53E-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):  82.29
       log Kow used: 2.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  820.94 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.39E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.031E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.07  (KowWin est)
  Log Kaw used:  -13.746  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.816
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8360
   Biowin2 (Non-Linear Model)     :   0.9067
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2688  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4705  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1031
   Biowin6 (MITI Non-Linear Model):   0.0290
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3617
 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):  8.71E-009 Pa (6.53E-011 mm Hg)
  Log Koa (Koawin est  ): 15.816
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  345 
       Octanol/air (Koa) model:  1.61E+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 =  68.8193 E-12 cm3/molecule-sec
      Half-Life =     0.155 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.865 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    :  4.794E+004
      Log Koc:  4.681 

 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 = 0.891 (BCF = 7.788)
       log Kow used: 2.07 (estimated)

 Volatilization from Water:
    Henry LC:  4.39E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  2.56E+012  hours   (1.067E+011 days)
    Half-Life from Model Lake : 2.793E+013  hours   (1.164E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               2.31  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.22  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       9.96e-005       3.73         1000       
   Water     21.8            900          1000       
   Soil      78.1            1.8e+003     1000       
   Sediment  0.0916          8.1e+003     0          
     Persistence Time: 1.46e+003 hr

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