ChemSpider 2D Image | N,N,N',N'-Tetramethyl-1,4-piperazinedicarboxamide | C10H20N4O2

N,N,N',N'-Tetramethyl-1,4-piperazinedicarboxamide

  • Molecular FormulaC10H20N4O2
  • Average mass228.291 Da
  • Monoisotopic mass228.158630 Da
  • ChemSpider ID569175

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

1,4-Piperazinedicarboxamide, N1,N1,N4,N4-tetramethyl- [ACD/Index Name]
N,N,N',N'-Tetramethyl-1,4-piperazindicarboxamid [German] [ACD/IUPAC Name]
N,N,N',N'-Tetramethyl-1,4-piperazinedicarboxamide [ACD/IUPAC Name]
N,N,N',N'-Tétraméthyl-1,4-pipérazinedicarboxamide [French] [ACD/IUPAC Name]
N,N,N',N'-Tetramethylpiperazine-1,4-dicarboxamide
[4-(N,N-dimethylcarbamoyl)piperazinyl]-N,N-dimethylcarboxamide
1,4-piperazinedicarboxamide, N,N,N',N'-tetramethyl-
1-N,1-N,4-N,4-N-tetramethylpiperazine-1,4-dicarboxamide
21579-91-9 [RN]
AC1LCR5H
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AH-357/03382032 [DBID]
MLS000033409 [DBID]
SMR000001314 [DBID]
ZINC00122543 [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: 383.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.2±3.0 kJ/mol
    Flash Point: 170.5±18.3 °C
    Index of Refraction: 1.523
    Molar Refractivity: 60.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -0.05
    ACD/LogD (pH 5.5): 0.42
    ACD/BCF (pH 5.5): 1.24
    ACD/KOC (pH 5.5): 40.49
    ACD/LogD (pH 7.4): 0.42
    ACD/BCF (pH 7.4): 1.24
    ACD/KOC (pH 7.4): 40.49
    Polar Surface Area: 47 Å2
    Polarizability: 24.1±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 198.6±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) =  -0.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  333.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  102.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.7E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000322 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):  8195
       log Kow used: -0.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.492e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.61E-019  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.089E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.86  (KowWin est)
  Log Kaw used:  -16.831  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.971
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6389
   Biowin2 (Non-Linear Model)     :   0.4420
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6947  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5184  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1135
   Biowin6 (MITI Non-Linear Model):   0.0456
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0377
 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):  0.0429 Pa (0.000322 mm Hg)
  Log Koa (Koawin est  ): 15.971
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.99E-005 
       Octanol/air (Koa) model:  2.3E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00252 
       Mackay model           :  0.00556 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.0710 E-12 cm3/molecule-sec
      Half-Life =     0.427 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.120 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00404 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  54.5
      Log Koc:  1.736 

 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: -0.86 (estimated)

 Volatilization from Water:
    Henry LC:  3.61E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.451E+015  hours   (1.021E+014 days)
    Half-Life from Model Lake : 2.673E+016  hours   (1.114E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       5.07e-012       10.2         1000       
   Water     46.4            900          1000       
   Soil      53.5            1.8e+003     1000       
   Sediment  0.0891          8.1e+003     0          
     Persistence Time: 974 hr

    Click to predict properties on the Chemicalize site


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