Found 209 results

Search term: MF = 'C_{25}H_{25}N_{3}'

ChemSpider 2D Image | (1Z)-N-[4-(9H-Fluoren-9-yl)-1-piperazinyl]-1-phenylethanimine | C25H25N3

(1Z)-N-[4-(9H-Fluoren-9-yl)-1-piperazinyl]-1-phenylethanimine

  • Molecular FormulaC25H25N3
  • Average mass367.486 Da
  • Monoisotopic mass367.204834 Da
  • ChemSpider ID4757796
  • Double-bond stereo - Double-bond stereo


More details:






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

(1Z)-N-[4-(9H-Fluoren-9-yl)-1-piperazinyl]-1-phenylethanimin [German] [ACD/IUPAC Name]
(1Z)-N-[4-(9H-Fluoren-9-yl)-1-piperazinyl]-1-phenylethanimine [ACD/IUPAC Name]
(1Z)-N-[4-(9H-Fluorén-9-yl)-1-pipérazinyl]-1-phényléthanimine [French] [ACD/IUPAC Name]
1-Piperazinamine, 4-(9H-fluoren-9-yl)-N-[(1Z)-1-phenylethylidene]- [ACD/Index Name]
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-phenylethanimine
[4-(9H-Fluoren-9-yl)-piperazin-1-yl]-(1-phenyl-ethylidene)-amine
4-((1Z)-2-phenyl-1-azaprop-1-enyl)-1-fluoren-9-ylpiperazine
4-(9H-fluoren-9-yl)-N-(1-phenylethylidene)-1-piperazinamine
4-(9H-fluoren-9-yl)-N-[(1Z)-1-phenylethylidene]piperazin-1-amine
430448-15-0 [RN]
More...

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

AF-399/15394037 [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: 522.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.5±3.0 kJ/mol
    Flash Point: 269.5±32.9 °C
    Index of Refraction: 1.649
    Molar Refractivity: 115.8±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.48
    ACD/LogD (pH 5.5): 3.76
    ACD/BCF (pH 5.5): 238.44
    ACD/KOC (pH 5.5): 885.46
    ACD/LogD (pH 7.4): 4.75
    ACD/BCF (pH 7.4): 2309.57
    ACD/KOC (pH 7.4): 8576.71
    Polar Surface Area: 19 Å2
    Polarizability: 45.9±0.5 10-24cm3
    Surface Tension: 45.7±7.0 dyne/cm
    Molar Volume: 317.7±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) =  5.70
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  499.23  (Adapted Stein & Brown method)
        Melting Pt (deg C):  212.24  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  2.93E-010  (Modified Grain method)
        Subcooled liquid VP: 2.87E-008 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):  0.005098
           log Kow used: 5.70 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  0.28336 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aliphatic Amines
           Hydrazines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   3.14E-012  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  2.779E-008 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  5.70  (KowWin est)
      Log Kaw used:  -9.892  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  15.592
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.4954
       Biowin2 (Non-Linear Model)     :   0.0670
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.1543  (months      )
       Biowin4 (Primary Survey Model) :   3.0344  (weeks       )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :  -0.2896
       Biowin6 (MITI Non-Linear Model):   0.0022
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model): -1.7877
     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):  3.83E-006 Pa (2.87E-008 mm Hg)
      Log Koa (Koawin est  ): 15.592
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.784 
           Octanol/air (Koa) model:  959 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.966 
           Mackay model           :  0.984 
           Octanol/air (Koa) model:  1 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 132.8985 E-12 cm3/molecule-sec
          Half-Life =     0.080 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.966 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.975 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  2.214E+007
          Log Koc:  7.345 
    
     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 = 3.690 (BCF = 4893)
           log Kow used: 5.70 (estimated)
    
     Volatilization from Water:
        Henry LC:  3.14E-012 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 3.574E+008  hours   (1.489E+007 days)
        Half-Life from Model Lake : 3.899E+009  hours   (1.625E+008 days)
    
     Removal In Wastewater Treatment:
        Total removal:              90.34  percent
        Total biodegradation:        0.76  percent
        Total sludge adsorption:    89.58  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       0.000398        1.93         1000       
       Water     3.3             1.44e+003    1000       
       Soil      56              2.88e+003    1000       
       Sediment  40.7            1.3e+004     0          
         Persistence Time: 4.65e+003 hr
    
    
    
    
                        

    Click to predict properties on the Chemicalize site






    Advertisement