Found 281 results

Search term: MF = 'C_{19}H_{16}N_{6}'
ChemSpider 2D Image | 6-{(2E)-2-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]hydrazino}[1,2,4]triazolo[3,4-a]phthalazine | C19H16N6

6-{(2E)-2-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]hydrazino}[1,2,4]triazolo[3,4-a]phthalazine

  • Molecular FormulaC19H16N6
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5273879

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Propenal, 2-methyl-3-phenyl-, 2-(1,2,4-triazolo[3,4-a]phthalazin-6-yl)hydrazone, (1E,2E)- [ACD/Index Name]
6-{(2E)-2-[(2E)-2-Methyl-3-phenyl-2-propen-1-yliden]hydrazino}[1,2,4]triazolo[3,4-a]phthalazin [German] [ACD/IUPAC Name]
6-{(2E)-2-[(2E)-2-Méthyl-3-phényl-2-propén-1-ylidène]hydrazino}[1,2,4]triazolo[3,4-a]phtalazine [French] [ACD/IUPAC Name]
6-{(2E)-2-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]hydrazino}[1,2,4]triazolo[3,4-a]phthalazine [ACD/IUPAC Name]
6-{(2E)-2-[(2E)-2-Methyl-3-phenylprop-2-en-1-ylidene]hydrazino}[1,2,4]triazolo[3,4-a]phthalazine
(6Z)-6-{(2E)-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
385421-01-2 [RN]
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

    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) =  3.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  497.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  211.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.26E-010  (Modified Grain method)
    Subcooled liquid VP: 3.13E-008 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):  0.5335
       log Kow used: 3.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  240.77 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.18E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.640E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.61  (KowWin est)
  Log Kaw used:  -11.886  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.496
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7193
   Biowin2 (Non-Linear Model)     :   0.5361
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4955  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3789  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2267
   Biowin6 (MITI Non-Linear Model):   0.0030
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2190
 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):  4.17E-006 Pa (3.13E-008 mm Hg)
  Log Koa (Koawin est  ): 15.496
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.719 
       Octanol/air (Koa) model:  769 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.963 
       Mackay model           :  0.983 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 254.8912 E-12 cm3/molecule-sec
      Half-Life =     0.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.504 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.599 Min
   Fraction sorbed to airborne particulates (phi): 0.973 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.598E+006
      Log Koc:  6.204 

 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 = 2.081 (BCF = 120.6)
       log Kow used: 3.61 (estimated)

 Volatilization from Water:
    Henry LC:  3.18E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.336E+010  hours   (1.39E+009 days)
    Half-Life from Model Lake :  3.64E+011  hours   (1.517E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              15.79  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    15.58  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       9.48e-006       0.237        1000       
   Water     11.4            900          1000       
   Soil      87.5            1.8e+003     1000       
   Sediment  1.08            8.1e+003     0          
     Persistence Time: 1.85e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement