ChemSpider 2D Image | MFCD02130327 | C29H29N3O2

MFCD02130327

  • Molecular FormulaC29H29N3O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5276063

  • Double-bond stereo - Double-bond stereo

More details:

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

9H-Carbazole-9-propanoic acid, 1,2,3,4-tetrahydro-, 2-[(1E)-[4-(phenylmethoxy)phenyl]methylene]hydrazide [ACD/Index Name]
MFCD02130327
N'-{(E)-[4-(Benzyloxy)phenyl]methylen}-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanhydrazid [German] [ACD/IUPAC Name]
N'-{(E)-[4-(Benzyloxy)phenyl]methylene}-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide [ACD/IUPAC Name]
N'-{(E)-[4-(Benzyloxy)phényl]méthylène}-3-(1,2,3,4-tétrahydro-9H-carbazol-9-yl)propanehydrazide [French] [ACD/IUPAC Name]
N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanohydrazide
347368-35-8 [RN]
N'-((E)-[4-(BENZYLOXY)PHENYL]METHYLIDENE)-3-(1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)PROPANOHYDRAZIDE
N-[(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide
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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) =  6.89

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  652.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  283.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.25E-015  (Modified Grain method)
    Subcooled liquid VP: 3.11E-012 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):  0.001884
       log Kow used: 6.89 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00081784 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.72E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.340E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.89  (KowWin est)
  Log Kaw used:  -12.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.708
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9019
   Biowin2 (Non-Linear Model)     :   0.8579
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0154  (months      )
   Biowin4 (Primary Survey Model) :   3.1412  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3678
   Biowin6 (MITI Non-Linear Model):   0.0016
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4142
 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):  4.15E-010 Pa (3.11E-012 mm Hg)
  Log Koa (Koawin est  ): 19.708
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.23E+003 
       Octanol/air (Koa) model:  1.25E+007 
   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 = 253.4878 E-12 cm3/molecule-sec
      Half-Life =     0.042 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.506 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    :  1.228E+008
      Log Koc:  8.089 

 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 = 4.609 (BCF = 4.064e+004)
       log Kow used: 6.89 (estimated)

 Volatilization from Water:
    Henry LC:  3.72E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.345E+011  hours   (1.394E+010 days)
    Half-Life from Model Lake : 3.649E+012  hours   (1.52E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              93.79  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.01  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       0.00329         1.01         1000       
   Water     1.43            1.44e+003    1000       
   Soil      39.4            2.88e+003    1000       
   Sediment  59.1            1.3e+004     0          
     Persistence Time: 5.49e+003 hr

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