ChemSpider 2D Image | 2-Amino-4-hydroxyethylaminoanisole | C9H14N2O2

2-Amino-4-hydroxyethylaminoanisole

  • Molecular FormulaC9H14N2O2
  • Average mass182.220 Da
  • Monoisotopic mass182.105530 Da
  • ChemSpider ID2286559

More details:






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

1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
2-((3-amino-4-methoxyphenyl)amino)ethan-1-ol
2-((3-Amino-4-methoxyphenyl)amino)ethanol
2-[(3-Amino-4-methoxyphenyl)amino]ethanol [ACD/IUPAC Name]
2-[(3-Amino-4-methoxyphenyl)amino]ethanol [German] [ACD/IUPAC Name]
2-[(3-Amino-4-méthoxyphényl)amino]éthanol [French] [ACD/IUPAC Name]
280-733-2 [EINECS]
2-Amino-4-hydroxyethylaminoanisole
83763-47-7 [RN]
Ethanol, 2-((3-amino-4-methoxyphenyl)amino)-
More...

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

0NK0KYZ30R [DBID]
UNII:0NK0KYZ30R [DBID]
UNII-0NK0KYZ30R [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: 401.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.8±3.0 kJ/mol
    Flash Point: 196.8±27.3 °C
    Index of Refraction: 1.628
    Molar Refractivity: 52.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -1.51
    ACD/LogD (pH 5.5): -0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.25
    ACD/LogD (pH 7.4): -0.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 21.89
    Polar Surface Area: 68 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 149.2±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) =  -0.74
    
     Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
        Boiling Pt (deg C):  340.96  (Adapted Stein & Brown method)
        Melting Pt (deg C):  111.19  (Mean or Weighted MP)
        VP(mm Hg,25 deg C):  1.34E-006  (Modified Grain method)
        Subcooled liquid VP: 9.46E-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):  2.286e+005
           log Kow used: -0.74 (estimated)
           no-melting pt equation used
    
     Water Sol Estimate from Fragments:
        Wat Sol (v1.01 est) =  2.6395e+005 mg/L
    
     ECOSAR Class Program (ECOSAR v0.99h):
        Class(es) found:
           Aromatic Amines
    
     Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
       Bond Method :   4.24E-015  atm-m3/mole
       Group Method:   Incomplete
     Henrys LC [VP/WSol estimate using EPI values]:  1.405E-012 atm-m3/mole
    
     Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
      Log Kow used:  -0.74  (KowWin est)
      Log Kaw used:  -12.761  (HenryWin est)
          Log Koa (KOAWIN v1.10 estimate):  12.021
          Log Koa (experimental database):  None
    
     Probability of Rapid Biodegradation (BIOWIN v4.10):
       Biowin1 (Linear Model)         :   0.4839
       Biowin2 (Non-Linear Model)     :   0.4933
     Expert Survey Biodegradation Results:
       Biowin3 (Ultimate Survey Model):   2.6284  (weeks-months)
       Biowin4 (Primary Survey Model) :   3.5746  (days-weeks  )
     MITI Biodegradation Probability:
       Biowin5 (MITI Linear Model)    :   0.3349
       Biowin6 (MITI Non-Linear Model):   0.1649
     Anaerobic Biodegradation Probability:
       Biowin7 (Anaerobic Linear Model):  0.2773
     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):  0.00126 Pa (9.46E-006 mm Hg)
      Log Koa (Koawin est  ): 12.021
       Kp (particle/gas partition coef. (m3/ug)):
           Mackay model           :  0.00238 
           Octanol/air (Koa) model:  0.258 
       Fraction sorbed to airborne particulates (phi):
           Junge-Pankow model     :  0.0791 
           Mackay model           :  0.16 
           Octanol/air (Koa) model:  0.954 
    
     Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
       Hydroxyl Radicals Reaction:
          OVERALL OH Rate Constant = 215.6745 E-12 cm3/molecule-sec
          Half-Life =     0.050 Days (12-hr day; 1.5E6 OH/cm3)
          Half-Life =     0.595 Hrs
       Ozone Reaction:
          No Ozone Reaction Estimation
       Fraction sorbed to airborne particulates (phi): 0.119 (Junge,Mackay)
        Note: the sorbed fraction may be resistant to atmospheric oxidation
    
     Soil Adsorption Coefficient (PCKOCWIN v1.66):
          Koc    :  10
          Log Koc:  1.000 
    
     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: -0.74 (estimated)
    
     Volatilization from Water:
        Henry LC:  4.24E-015 atm-m3/mole  (estimated by Bond SAR Method)
        Half-Life from Model River: 1.864E+011  hours   (7.767E+009 days)
        Half-Life from Model Lake : 2.033E+012  hours   (8.473E+010 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       6.5e-008        1.19         1000       
       Water     46.3            900          1000       
       Soil      53.6            1.8e+003     1000       
       Sediment  0.0891          8.1e+003     0          
         Persistence Time: 974 hr
    
    
    
    
                        

    Click to predict properties on the Chemicalize site






    Advertisement