ChemSpider 2D Image | N,N-Dimethyl-2,6-bis(2-methyl-2-propanyl)-4-pyridinamine | C15H26N2

N,N-Dimethyl-2,6-bis(2-methyl-2-propanyl)-4-pyridinamine

  • Molecular FormulaC15H26N2
  • Average mass234.380 Da
  • Monoisotopic mass234.209595 Da
  • ChemSpider ID265662

More details:

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

4-Pyridinamine, 2,6-bis(1,1-dimethylethyl)-N,N-dimethyl- [ACD/Index Name]
N,N-Dimethyl-2,6-bis(2-methyl-2-propanyl)-4-pyridinamin [German] [ACD/IUPAC Name]
N,N-Dimethyl-2,6-bis(2-methyl-2-propanyl)-4-pyridinamine [ACD/IUPAC Name]
N,N-Diméthyl-2,6-bis(2-méthyl-2-propanyl)-4-pyridinamine [French] [ACD/IUPAC Name]
2,6-Bis(1,1-dimethylethyl)-N,N-dimethyl-4-pyridinamine
2,6-ditert-butyl-N,N-dimethylpyridin-4-amine
2,6-di-tert-butyl-N,N-dimethylpyridin-4-amine
38222-90-1 [RN]
38222-93-4 [RN]
38222-94-5 [RN]

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

NSC175795 [DBID]
NSC175800 [DBID]
NSC175806 [DBID]

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 297.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 134.0±27.3 °C
    Index of Refraction: 1.506
    Molar Refractivity: 75.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 1.86
    ACD/BCF (pH 5.5): 3.86
    ACD/KOC (pH 5.5): 17.83
    ACD/LogD (pH 7.4): 1.97
    ACD/BCF (pH 7.4): 4.91
    ACD/KOC (pH 7.4): 22.69
    Polar Surface Area: 16 Å2
    Polarizability: 29.9±0.5 10-24cm3
    Surface Tension: 31.0±3.0 dyne/cm
    Molar Volume: 254.0±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) =  4.80

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  287.98  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00117  (Modified Grain method)
    Subcooled liquid VP: 0.00368 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):  2.288
       log Kow used: 4.80 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  635.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.47E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.577E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.80  (KowWin est)
  Log Kaw used:  -4.515  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.315
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0917
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7880  (months      )
   Biowin4 (Primary Survey Model) :   2.8960  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0515
   Biowin6 (MITI Non-Linear Model):   0.0128
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0936
 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):  0.491 Pa (0.00368 mm Hg)
  Log Koa (Koawin est  ): 9.315
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.11E-006 
       Octanol/air (Koa) model:  0.000507 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000221 
       Mackay model           :  0.000489 
       Octanol/air (Koa) model:  0.039 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 203.5333 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.631 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000355 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3925
      Log Koc:  3.594 

 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 = 2.997 (BCF = 992.8)
       log Kow used: 4.80 (estimated)

 Volatilization from Water:
    Henry LC:  7.47E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1202  hours   (50.06 days)
    Half-Life from Model Lake : 1.324E+004  hours   (551.5 days)

 Removal In Wastewater Treatment:
    Total removal:              70.38  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    69.74  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0298          1.26         1000       
   Water     10.3            1.44e+003    1000       
   Soil      69.6            2.88e+003    1000       
   Sediment  20.1            1.3e+004     0          
     Persistence Time: 2e+003 hr

    Click to predict properties on the Chemicalize site


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