ChemSpider 2D Image | N-[2-(4-Morpholinyl)ethyl]-2,2-diphenylacetamide | C20H24N2O2

N-[2-(4-Morpholinyl)ethyl]-2,2-diphenylacetamide

  • Molecular FormulaC20H24N2O2
  • Average mass324.417 Da
  • Monoisotopic mass324.183777 Da
  • ChemSpider ID603889

More details:

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

Benzeneacetamide, N-[2-(4-morpholinyl)ethyl]-α-phenyl- [ACD/Index Name]
N-[2-(4-Morpholinyl)ethyl]-2,2-diphenylacetamid [German] [ACD/IUPAC Name]
N-[2-(4-Morpholinyl)ethyl]-2,2-diphenylacetamide [ACD/IUPAC Name]
N-[2-(4-Morpholinyl)éthyl]-2,2-diphénylacétamide [French] [ACD/IUPAC Name]
329219-60-5 [RN]
MFCD00389999 [MDL number]
MS-10569
N-(2-morpholin-4-ylethyl)-2,2-diphenylacetamide
N-(2-Morpholin-4-yl-ethyl)-2,2-diphenyl-acetamide
N-(2-MORPHOLIN-4-YLETHYL)-2,2-DIPHENYLETHANAMIDE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/11935030 [DBID]
BIM-0023877.P001 [DBID]
CBMicro_023959 [DBID]
CDS1_004375 [DBID]
DivK1c_005415 [DBID]
MixCom6_000983 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 541.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.9±3.0 kJ/mol
    Flash Point: 281.0±30.1 °C
    Index of Refraction: 1.568
    Molar Refractivity: 94.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.60
    ACD/LogD (pH 5.5): 1.65
    ACD/BCF (pH 5.5): 6.06
    ACD/KOC (pH 5.5): 65.39
    ACD/LogD (pH 7.4): 2.61
    ACD/BCF (pH 7.4): 55.12
    ACD/KOC (pH 7.4): 594.96
    Polar Surface Area: 42 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 289.6±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) =  1.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  489.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  207.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.82E-010  (Modified Grain method)
    Subcooled liquid VP: 5.04E-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):  188.2
       log Kow used: 1.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3372 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.22E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.320E-012 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.96  (KowWin est)
  Log Kaw used:  -13.530  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.490
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5615
   Biowin2 (Non-Linear Model)     :   0.4052
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1337  (months      )
   Biowin4 (Primary Survey Model) :   3.2286  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0404
   Biowin6 (MITI Non-Linear Model):   0.0258
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0913
 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):  6.72E-006 Pa (5.04E-008 mm Hg)
  Log Koa (Koawin est  ): 15.490
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.446 
       Octanol/air (Koa) model:  759 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.942 
       Mackay model           :  0.973 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 172.4201 E-12 cm3/molecule-sec
      Half-Life =     0.062 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.744 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.957 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.23E+004
      Log Koc:  4.348 

 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 = 0.806 (BCF = 6.403)
       log Kow used: 1.96 (estimated)

 Volatilization from Water:
    Henry LC:  7.22E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.461E+012  hours   (6.086E+010 days)
    Half-Life from Model Lake : 1.593E+013  hours   (6.639E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               2.21  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.12  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       1.33e-007       1.49         1000       
   Water     24              1.44e+003    1000       
   Soil      75.9            2.88e+003    1000       
   Sediment  0.0906          1.3e+004     0          
     Persistence Time: 1.86e+003 hr

    Click to predict properties on the Chemicalize site


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