ChemSpider 2D Image | N-(2-Methoxyethyl)-N~2~-methylglycinamide | C6H14N2O2

N-(2-Methoxyethyl)-N2-methylglycinamide

  • Molecular FormulaC6H14N2O2
  • Average mass146.188 Da
  • Monoisotopic mass146.105530 Da
  • ChemSpider ID5474682

More details:






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

Acetamide, N-(2-methoxyethyl)-2-(methylamino)- [ACD/Index Name]
MFCD06658937 [MDL number]
N-(2-methoxyethyl)-2-(methylamino)acetamide
N-(2-Methoxyethyl)-N2-methylglycinamid [German] [ACD/IUPAC Name]
N-(2-Methoxyethyl)-N2-methylglycinamide [ACD/IUPAC Name]
N-(2-Méthoxyéthyl)-N2-méthylglycinamide [French] [ACD/IUPAC Name]
[144236-37-3] [RN]
144236-37-3 [RN]
AC1OFKQF
AC1Q412I
More...

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 283.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.2±3.0 kJ/mol
    Flash Point: 125.3±23.2 °C
    Index of Refraction: 1.435
    Molar Refractivity: 38.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -1.40
    ACD/LogD (pH 5.5): -3.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.57
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.80
    Polar Surface Area: 50 Å2
    Polarizability: 15.4±0.5 10-24cm3
    Surface Tension: 31.2±3.0 dyne/cm
    Molar Volume: 148.7±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) =  -1.58
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  295.70  (Adapted Stein & Brown method)
        Melting Pt (deg C):  87.46  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  0.000616  (Modified Grain method)
        Subcooled liquid VP: 0.00245 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):  8.557e+004
           log Kow used: -1.58 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  1e+006 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   1.72E-012  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.385E-009 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -1.58  (KowWin est)
      Log Kaw used:  -10.153  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  8.573
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.6946
       Biowin2 (Non-Linear Model)     :   0.7866
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.8377  (weeks       )
       Biowin4 (Primary Survey Model) :   3.8758  (days        )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.5877
       Biowin6 (MITI Non-Linear Model):   0.5317
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.1071
     Ready Biodegradability Prediction:   YES
    
    Hydrocarbon Biodegradation (BioHCwin v1.01):
        Structure incompatible with current estimation method!
    
     Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
      Vapor pressure (liquid/subcooled):  0.327 Pa (0.00245 mm Hg)
      Log Koa (Koawin est  ): 8.573
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  9.18E-006 
           Octanol/air (Koa) model:  9.18E-005 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.000332 
           Mackay model           :  0.000734 
           Octanol/air (Koa) model:  0.00729 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant =  97.5198 E-12 cm3/molecule-sec
          Half-Life =     0.110 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     1.316 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.000533 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  10
          Log Koc:  1.000 
    
     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 = 0.500 (BCF = 3.162)
           log Kow used: -1.58 (estimated)
    
     Volatilization from Water:
        Henry LC:  1.72E-012 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 4.116E+008  hours   (1.715E+007 days)
        Half-Life from Model Lake :  4.49E+009  hours   (1.871E+008 days)
    
     Removal In Wastewater Treatment:
        Total removal:               1.85  percent
        Total biodegradation:        0.09  percent
        Total sludge adsorption:     1.75  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       4.05e-005       2.63         1000       
       Water     39              360          1000       
       Soil      60.9            720          1000       
       Sediment  0.0713          3.24e+003    0          
         Persistence Time: 579 hr
    
    
    
    
                        

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