ChemSpider 2D Image | 2,2'-IMINOBIS(N-(2,6-DIMETHYLPHENYL)ACETAMIDE) | C20H25N3O2

2,2'-IMINOBIS(N-(2,6-DIMETHYLPHENYL)ACETAMIDE)

  • Molecular FormulaC20H25N3O2
  • Average mass339.431 Da
  • Monoisotopic mass339.194672 Da
  • ChemSpider ID1581153

More details:

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

2,2'-IMINOBIS(N-(2,6-DIMETHYLPHENYL)ACETAMIDE)
2,2'-Iminobis[N-(2,6-dimethylphenyl)acetamid] [German] [ACD/IUPAC Name]
2,2'-Iminobis[N-(2,6-dimethylphenyl)acetamide] [ACD/IUPAC Name]
2,2'-Iminobis[N-(2,6-diméthylphényl)acétamide] [French] [ACD/IUPAC Name]
745798-07-6 [RN]
Acetamide, 2,2'-iminobis[N-(2,6-dimethylphenyl)- [ACD/Index Name]
N-(2,6-dimethylphenyl)-2-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}amino)acetamide
2,2'-Azanediylbis(N-(2,6-dimethylphenyl)acetamide)
Lidocaine IMpurity E
MFCD05272458
More...

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

8P3T7VI89U [DBID]
UNII:8P3T7VI89U [DBID]
UNII-8P3T7VI89U [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 534.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 175.0±30.3 °C
Index of Refraction: 1.619
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.62
ACD/KOC (pH 5.5): 339.93
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.86
ACD/KOC (pH 7.4): 357.05
Polar Surface Area: 70 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 290.4±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) =  1.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  577.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  248.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.04E-012  (Modified Grain method)
    Subcooled liquid VP: 2.82E-010 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):  819.4
       log Kow used: 1.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  37.181 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-013  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.669E-016 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.10  (KowWin est)
  Log Kaw used:  -11.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.451
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3788
   Biowin2 (Non-Linear Model)     :   0.9991
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0657  (months      )
   Biowin4 (Primary Survey Model) :   3.5380  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3028
   Biowin6 (MITI Non-Linear Model):   0.0484
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.1301
 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):  3.76E-008 Pa (2.82E-010 mm Hg)
  Log Koa (Koawin est  ): 12.451
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  79.8 
       Octanol/air (Koa) model:  0.693 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.982 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 113.8906 E-12 cm3/molecule-sec
      Half-Life =     0.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.127 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    :  1.96E+004
      Log Koc:  4.292 

 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 = 0.149 (BCF = 1.411)
       log Kow used: 1.10 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.896E+009  hours   (4.123E+008 days)
    Half-Life from Model Lake :  1.08E+011  hours   (4.498E+009 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  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       0.00568         2.25         1000       
   Water     42.2            1.44e+003    1000       
   Soil      57.7            2.88e+003    1000       
   Sediment  0.0925          1.3e+004     0          
     Persistence Time: 1.28e+003 hr

Click to predict properties on the Chemicalize site


Advertisement