ChemSpider 2D Image | 5-Chloro-2-(4-morpholinyl)aniline | C10H13ClN2O

5-Chloro-2-(4-morpholinyl)aniline

  • Molecular FormulaC10H13ClN2O
  • Average mass212.676 Da
  • Monoisotopic mass212.071640 Da
  • ChemSpider ID739301

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

5-Chlor-2-(4-morpholinyl)anilin [German] [ACD/IUPAC Name]
5-Chloro-2-(4-morpholinyl)aniline [ACD/IUPAC Name]
5-Chloro-2-(4-morpholinyl)aniline [French] [ACD/IUPAC Name]
5-chloro-2-(morpholin-4-yl)aniline
5-Chloro-2-morpholin-4-yl-phenylamine
90875-44-8 [RN]
Benzenamine, 5-chloro-2-(4-morpholinyl)- [ACD/Index Name]
(5-chloro-2-morpholin-4-ylphenyl)amine
(5-chloro-2-morpholin-4-ylphenyl)amine|5-chloro-2-morpholin-4-ylaniline
5-chloro-2-(4-morpholinyl)Benzenamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD02934447 [DBID]
BAS 05307666 [DBID]
MLS000048848 [DBID]
SMR000062514 [DBID]
ZINC00378637 [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: 384.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.3±3.0 kJ/mol
    Flash Point: 186.3±27.9 °C
    Index of Refraction: 1.601
    Molar Refractivity: 57.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 0.23
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.49
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 8.73
    ACD/KOC (pH 7.4): 147.73
    Polar Surface Area: 38 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 51.0±3.0 dyne/cm
    Molar Volume: 167.0±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) =  1.51

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  330.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  110.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.56E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000385 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):  1926
       log Kow used: 1.51 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14684 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.54E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.079E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.51  (KowWin est)
  Log Kaw used:  -8.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.711
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3225
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1242  (months      )
   Biowin4 (Primary Survey Model) :   2.9694  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0519
   Biowin6 (MITI Non-Linear Model):   0.0090
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.9425
 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):  0.0513 Pa (0.000385 mm Hg)
  Log Koa (Koawin est  ): 9.711
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.84E-005 
       Octanol/air (Koa) model:  0.00126 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00211 
       Mackay model           :  0.00465 
       Octanol/air (Koa) model:  0.0917 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 198.8813 E-12 cm3/molecule-sec
      Half-Life =     0.054 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.645 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00338 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  85.89
      Log Koc:  1.934 

 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 = 0.464 (BCF = 2.909)
       log Kow used: 1.51 (estimated)

 Volatilization from Water:
    Henry LC:  1.54E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.544E+006  hours   (2.31E+005 days)
    Half-Life from Model Lake : 6.048E+007  hours   (2.52E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.98  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  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       0.00138         1.29         1000       
   Water     34.5            1.44e+003    1000       
   Soil      65.4            2.88e+003    1000       
   Sediment  0.0892          1.3e+004     0          
     Persistence Time: 1.48e+003 hr

    Click to predict properties on the Chemicalize site


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