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Search term: MF = 'C_{18}H_{16}N_{4}O'
ChemSpider 2D Image | 2-(2-Naphthylamino)-N'-[(E)-2-pyridinylmethylene]acetohydrazide | C18H16N4O

2-(2-Naphthylamino)-N'-[(E)-2-pyridinylmethylene]acetohydrazide

  • Molecular FormulaC18H16N4O
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5274294

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(2-Naphthylamino)-N'-[(E)-2-pyridinylmethylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(2-Naphthylamino)-N'-[(E)-2-pyridinylmethylene]acetohydrazide [ACD/IUPAC Name]
2-(2-Naphthylamino)-N'-[(E)-pyridin-2-ylmethylene]acetohydrazide (non-preferred name)
2-(2-Naphtylamino)-N'-[(E)-2-pyridinylméthylène]acétohydrazide [French] [ACD/IUPAC Name]
2-(NAPHTHALEN-2-YLAMINO)-N-(PYRIDIN-2-YLMETHYLIDENEAMINO)ACETAMIDE
2-(naphthalen-2-ylamino)-N'-[(E)-pyridin-2-ylmethylidene]acetohydrazide (non-preferred name)
2-(naphthalen-2-ylamino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
2-(NAPHTHALEN-2-YLAMINO)-N`-[(1E)-PYRIDIN-2-YLMETHYLIDENE]ACETOHYDRAZIDE
2-[(NAPHTHALEN-2-YL)AMINO]-N`-[(1E)-(PYRIDIN-2-YL)METHYLIDENE]ACETOHYDRAZIDE
328541-63-5 [RN]
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    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) =  2.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  516.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  220.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.56E-011  (Modified Grain method)
    Subcooled liquid VP: 1.05E-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):  4028
       log Kow used: 2.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8058.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.49E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.510E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.06  (KowWin est)
  Log Kaw used:  -13.846  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.906
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2143
   Biowin2 (Non-Linear Model)     :   0.0077
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1775  (months      )
   Biowin4 (Primary Survey Model) :   3.2815  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2544
   Biowin6 (MITI Non-Linear Model):   0.0026
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2087
 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):  1.4E-006 Pa (1.05E-008 mm Hg)
  Log Koa (Koawin est  ): 15.906
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14 
       Octanol/air (Koa) model:  1.98E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.987 
       Mackay model           :  0.994 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 214.8325 E-12 cm3/molecule-sec
      Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.597 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.991 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.03E+005
      Log Koc:  5.702 

 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 = 0.886 (BCF = 7.685)
       log Kow used: 2.06 (estimated)

 Volatilization from Water:
    Henry LC:  3.49E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.927E+012  hours   (1.219E+011 days)
    Half-Life from Model Lake : 3.193E+013  hours   (1.33E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               2.30  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.21  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       3.02e-007       1.19         1000       
   Water     21.9            1.44e+003    1000       
   Soil      78              2.88e+003    1000       
   Sediment  0.0931          1.3e+004     0          
     Persistence Time: 1.95e+003 hr

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