ChemSpider 2D Image | 4-(4-Methylphenyl)-N-[(Z)-(4-methylphenyl)methylene]piperazin-1-amine | C19H23N3

4-(4-Methylphenyl)-N-[(Z)-(4-methylphenyl)methylene]piperazin-1-amine

  • Molecular FormulaC19H23N3
  • Average mass293.406 Da
  • Monoisotopic mass293.189209 Da
  • ChemSpider ID4541117

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-1-(4-Methylphenyl)-N-[4-(4-methylphenyl)-1-piperazinyl]methanimin [German] [ACD/IUPAC Name]
(Z)-1-(4-Methylphenyl)-N-[4-(4-methylphenyl)-1-piperazinyl]methanimine [ACD/IUPAC Name]
(Z)-1-(4-Méthylphényl)-N-[4-(4-méthylphényl)-1-pipérazinyl]méthanimine [French] [ACD/IUPAC Name]
1-Piperazinamine, 4-(4-methylphenyl)-N-[(1Z)-(4-methylphenyl)methylene]- [ACD/Index Name]
4-(4-Methylphenyl)-N-[(Z)-(4-methylphenyl)methylene]piperazin-1-amine
(1Z)-1-(4-METHYLPHENYL)-N-[4-(4-METHYLPHENYL)PIPERAZIN-1-YL]METHANIMINE
(4-Methyl-benzylidene)-(4-p-tolyl-piperazin-1-yl)-amine
(Z)-1-(4-methylphenyl)-N-[4-(4-methylphenyl)piperazin-1-yl]methanimine
307348-66-9 [RN]
4-(4-methylphenyl)-N-[(Z)-(4-methylphenyl)methylidene]piperazin-1-amine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 485.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 247.2±28.7 °C
    Index of Refraction: 1.586
    Molar Refractivity: 93.1±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.16
    ACD/LogD (pH 5.5): 2.53
    ACD/BCF (pH 5.5): 21.58
    ACD/KOC (pH 5.5): 119.15
    ACD/LogD (pH 7.4): 3.85
    ACD/BCF (pH 7.4): 451.43
    ACD/KOC (pH 7.4): 2492.50
    Polar Surface Area: 19 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 39.7±7.0 dyne/cm
    Molar Volume: 277.5±7.0 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) =  4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  404.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  150.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.46E-007  (Modified Grain method)
    Subcooled liquid VP: 6.53E-006 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):  2.222
       log Kow used: 4.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  41.189 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.98E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.012E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  -6.914  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.344
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5119
   Biowin2 (Non-Linear Model)     :   0.0974
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1463  (months      )
   Biowin4 (Primary Survey Model) :   2.9994  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0278
   Biowin6 (MITI Non-Linear Model):   0.0180
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.1927
 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):  0.000871 Pa (6.53E-006 mm Hg)
  Log Koa (Koawin est  ): 11.344
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00345 
       Octanol/air (Koa) model:  0.0542 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.111 
       Mackay model           :  0.216 
       Octanol/air (Koa) model:  0.813 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 230.7288 E-12 cm3/molecule-sec
      Half-Life =     0.046 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.556 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.163 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.099E+005
      Log Koc:  5.041 

 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 = 2.709 (BCF = 511.5)
       log Kow used: 4.43 (estimated)

 Volatilization from Water:
    Henry LC:  2.98E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.365E+005  hours   (1.402E+004 days)
    Half-Life from Model Lake : 3.672E+006  hours   (1.53E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              52.30  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.80  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       0.01            1.11         1000       
   Water     9.3             1.44e+003    1000       
   Soil      82.9            2.88e+003    1000       
   Sediment  7.8             1.3e+004     0          
     Persistence Time: 2.46e+003 hr

    Click to predict properties on the Chemicalize site


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