ChemSpider 2D Image | 4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone | C18H22N4

4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone

  • Molecular FormulaC18H22N4
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5260001

  • Double-bond stereo - Double-bond stereo

More details:

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

2143-98-8 [RN]
4-(Dimethylamino)benzaldehyde ((4-(dimethylamino)phenyl)methylene)hydrazone
4,4'-[(1E,2E)-1,2-Hydrazindiylidendi(E)methylyliden]bis(N,N-dimethylanilin) [German] [ACD/IUPAC Name]
4,4'-[(1E,2E)-1,2-Hydrazinediylidenedi(E)methylylidene]bis(N,N-dimethylaniline) [ACD/IUPAC Name]
4,4'-[(1E,2E)-1,2-Hydrazinediylidènedi(E)méthylylidène]bis(N,N-diméthylaniline) [French] [ACD/IUPAC Name]
4,4'-[(1E,2E)-hydrazine-1,2-diylidenedi(E)methylylidene]bis(N,N-dimethylaniline)
Benzaldehyde, 4-(dimethylamino)-, 2-[(1E)-[4-(dimethylamino)phenyl]methylene]hydrazone [ACD/Index Name]
(4-{(1E,3E)-2,3-Diaza-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl}phenyl)dimethylamine
(4-{(1E,3E)-4-[4-(dimethylamino)phenyl]-2,3-diazabuta-1,3-dienyl}phenyl)dimethylamine
108026-63-7 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS110673 [DBID]
AIDS-110673 [DBID]
NSC 235182 [DBID]

    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) =  4.83

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  396.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  137.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.48E-007  (Modified Grain method)
    Subcooled liquid VP: 1.02E-005 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):  0.987
       log Kow used: 4.83 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9196 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.74E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.936E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.83  (KowWin est)
  Log Kaw used:  -6.400  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.230
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1969
   Biowin2 (Non-Linear Model)     :   0.0036
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0390  (months      )
   Biowin4 (Primary Survey Model) :   2.8470  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2855
   Biowin6 (MITI Non-Linear Model):   0.0023
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3292
 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):  0.00136 Pa (1.02E-005 mm Hg)
  Log Koa (Koawin est  ): 11.230
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00221 
       Octanol/air (Koa) model:  0.0417 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0738 
       Mackay model           :  0.15 
       Octanol/air (Koa) model:  0.769 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 208.9392 E-12 cm3/molecule-sec
      Half-Life =     0.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.614 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.112 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.2E+004
      Log Koc:  4.964 

 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 = 3.021 (BCF = 1051)
       log Kow used: 4.83 (estimated)

 Volatilization from Water:
    Henry LC:  9.74E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.031E+005  hours   (4298 days)
    Half-Life from Model Lake : 1.125E+006  hours   (4.689E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              71.60  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    70.96  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       0.0172          1.23         1000       
   Water     8.78            1.44e+003    1000       
   Soil      72.8            2.88e+003    1000       
   Sediment  18.4            1.3e+004     0          
     Persistence Time: 2.4e+003 hr

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