ChemSpider 2D Image | 3-Amino-9-P-Aminophenylacridine | C19H15N3

3-Amino-9-P-Aminophenylacridine

  • Molecular FormulaC19H15N3
  • Average mass285.342 Da
  • Monoisotopic mass285.126587 Da
  • ChemSpider ID9756

More details:

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

3-Acridinamine, 9-(4-aminophenyl)- [ACD/Index Name]
3-Amino-9-P-Aminophenylacridine
477-76-9 [RN]
9-(4-Aminophenyl)-3-acridinamin [German] [ACD/IUPAC Name]
9-(4-Aminophenyl)-3-acridinamine [ACD/IUPAC Name]
9-(4-Aminophényl)-3-acridinamine [French] [ACD/IUPAC Name]
9-(4-aminophenyl)acridin-3-amine
2-Amino-5- (p-aminophenyl)acridine
2-Amino-5-p-aminophenylacridine (European)
3-amino-9(p-aminophenyl)acridine
More...

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

AI3-61806 [DBID]
AIDS166518 [DBID]
AIDS-166518 [DBID]
BRN 0224676 [DBID]
NSC 14216 [DBID]
NSC14216 [DBID]
ZINC03846908 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 515.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 298.2±13.1 °C
    Index of Refraction: 1.786
    Molar Refractivity: 93.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 4
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.74
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.27
    ACD/LogD (pH 7.4): 2.29
    ACD/BCF (pH 7.4): 20.95
    ACD/KOC (pH 7.4): 182.29
    Polar Surface Area: 65 Å2
    Polarizability: 36.9±0.5 10-24cm3
    Surface Tension: 68.1±3.0 dyne/cm
    Molar Volume: 220.7±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) =  3.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  517.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  220.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.21E-011  (Modified Grain method)
    Subcooled liquid VP: 1.01E-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):  1.949
       log Kow used: 3.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23.437 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.44E-016  atm-m3/mole
   Group Method:   5.23E-015  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.582E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.25  (KowWin est)
  Log Kaw used:  -13.580  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.830
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1442
   Biowin2 (Non-Linear Model)     :   0.0077
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2987  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2193  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3618
   Biowin6 (MITI Non-Linear Model):   0.0011
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7693
 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):  1.35E-006 Pa (1.01E-008 mm Hg)
  Log Koa (Koawin est  ): 16.830
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.23 
       Octanol/air (Koa) model:  1.66E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.988 
       Mackay model           :  0.994 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 276.9024 E-12 cm3/molecule-sec
      Half-Life =     0.039 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.812 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.991 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.521E+005
      Log Koc:  5.547 

 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 = 1.801 (BCF = 63.3)
       log Kow used: 3.25 (estimated)

 Volatilization from Water:
    Henry LC:  5.23E-015 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 1.891E+011  hours   (7.879E+009 days)
    Half-Life from Model Lake : 2.063E+012  hours   (8.596E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               8.47  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.33  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       5.05e-006       0.927        1000       
   Water     12.1            900          1000       
   Soil      87.4            1.8e+003     1000       
   Sediment  0.487           8.1e+003     0          
     Persistence Time: 1.81e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement