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Search term: MF = 'C_{25}H_{19}N_{3}O_{2}'
ChemSpider 2D Image | Dibenzo[a,c]phenazin-11-yl(4-morpholinyl)methanone | C25H19N3O2

Dibenzo[a,c]phenazin-11-yl(4-morpholinyl)methanone

  • Molecular FormulaC25H19N3O2
  • Average mass393.437 Da
  • Monoisotopic mass393.147736 Da
  • ChemSpider ID2134739

More details:

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

Dibenzo[a,c]phenazin-11-yl(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Dibenzo[a,c]phenazin-11-yl(4-morpholinyl)methanone [ACD/IUPAC Name]
Dibenzo[a,c]phénazin-11-yl(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Dibenzo[a,c]phenazin-11-yl-morpholin-4-yl-methanone
Methanone, dibenzo[a,c]phenazin-11-yl-4-morpholinyl- [ACD/Index Name]
11-(4-morpholinylcarbonyl)dibenzo[a,c]phenazine
328276-84-2 [RN]
FCUUUEKXVCVQGJ-UHFFFAOYSA-N
morpholin-4-yl phenanthro[9,10-b]quinoxalin-11-yl ketone
morpholin-4-yl(phenanthro[9,10-b]quinoxalin-11-yl)methanone

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

AG-690/36723016 [DBID]
BAS 00406144 [DBID]
BIM-0027240.P001 [DBID]
CBMicro_027483 [DBID]
ZINC04322665 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 695.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.9±3.0 kJ/mol
    Flash Point: 374.5±27.3 °C
    Index of Refraction: 1.778
    Molar Refractivity: 120.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 4.11
    ACD/BCF (pH 5.5): 777.71
    ACD/KOC (pH 5.5): 4081.73
    ACD/LogD (pH 7.4): 4.11
    ACD/BCF (pH 7.4): 777.73
    ACD/KOC (pH 7.4): 4081.84
    Polar Surface Area: 55 Å2
    Polarizability: 47.9±0.5 10-24cm3
    Surface Tension: 70.9±3.0 dyne/cm
    Molar Volume: 288.5±3.0 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) =  2.99

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  616.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  267.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.85E-014  (Modified Grain method)
    Subcooled liquid VP: 2.66E-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):  0.7257
       log Kow used: 2.99 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.1702 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.60E-018  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.173E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.99  (KowWin est)
  Log Kaw used:  -15.832  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.822
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2343
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.4675  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.7735  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1610
   Biowin6 (MITI Non-Linear Model):   0.0031
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.5188
 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):  3.55E-009 Pa (2.66E-011 mm Hg)
  Log Koa (Koawin est  ): 18.822
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  846 
       Octanol/air (Koa) model:  1.63E+006 
   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 = 101.4041 E-12 cm3/molecule-sec
      Half-Life =     0.105 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.266 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    :  6.475E+004
      Log Koc:  4.811 

 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 = 1.604 (BCF = 40.22)
       log Kow used: 2.99 (estimated)

 Volatilization from Water:
    Henry LC:  3.6E-018 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.226E+014  hours   (1.344E+013 days)
    Half-Life from Model Lake : 3.519E+015  hours   (1.466E+014 days)

 Removal In Wastewater Treatment:
    Total removal:               5.61  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     5.48  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       4.7e-007        2.53         1000       
   Water     6.91            4.32e+003    1000       
   Soil      92.9            8.64e+003    1000       
   Sediment  0.19            3.89e+004    0          
     Persistence Time: 6.46e+003 hr

    Click to predict properties on the Chemicalize site


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