ChemSpider 2D Image | 2-(10(9H)-Acridinyl)-N,N-dimethylethanamine | C17H20N2

2-(10(9H)-Acridinyl)-N,N-dimethylethanamine

  • Molecular FormulaC17H20N2
  • Average mass252.354 Da
  • Monoisotopic mass252.162643 Da
  • ChemSpider ID169937

More details:

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

10(9H)-Acridineethanamine, N,N-dimethyl- [ACD/Index Name]
2-(10(9H)-Acridinyl)-N,N-dimethylethanamin [German] [ACD/IUPAC Name]
2-(10(9H)-Acridinyl)-N,N-dimethylethanamine [ACD/IUPAC Name]
2-(10(9H)-Acridinyl)-N,N-diméthyléthanamine [French] [ACD/IUPAC Name]
[2-(9,10-dihydroacridin-10-yl)ethyl]dimethylamine
[2-(9H-acridin-10-yl)ethyl]dimethylamine
10-(2-dimethylaminoethyl) acridan
10-(2-Dimethylaminoethyl)acridan
2-(9h-acridin-10-yl)-n,n-dimethyl ethanamine
2-(9H-acridin-10-yl)-N,N-dimethylethanamine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Skf 7265 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 378.6±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 168.5±12.7 °C
Index of Refraction: 1.593
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 19.23
ACD/KOC (pH 7.4): 106.64
Polar Surface Area: 6 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 235.0±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) =  3.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  357.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  125.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.58E-006  (Modified Grain method)
    Subcooled liquid VP: 8.63E-005 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):  10.44
       log Kow used: 3.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26.317 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.73E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.729E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.79  (KowWin est)
  Log Kaw used:  -6.630  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.420
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2716
   Biowin2 (Non-Linear Model)     :   0.0116
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0570  (months      )
   Biowin4 (Primary Survey Model) :   2.8391  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0986
   Biowin6 (MITI Non-Linear Model):   0.0090
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.3060
 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):  0.0115 Pa (8.63E-005 mm Hg)
  Log Koa (Koawin est  ): 10.420
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000261 
       Octanol/air (Koa) model:  0.00646 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00933 
       Mackay model           :  0.0204 
       Octanol/air (Koa) model:  0.341 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 290.8317 E-12 cm3/molecule-sec
      Half-Life =     0.037 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.480 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0149 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.863E+004
      Log Koc:  4.270 

 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 = 2.222 (BCF = 166.6)
       log Kow used: 3.79 (estimated)

 Volatilization from Water:
    Henry LC:  5.73E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.623E+005  hours   (6763 days)
    Half-Life from Model Lake : 1.771E+006  hours   (7.379E+004 days)

 Removal In Wastewater Treatment:
    Total removal:              21.47  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    21.22  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       0.0132          0.883        1000       
   Water     11.4            1.44e+003    1000       
   Soil      86.5            2.88e+003    1000       
   Sediment  2.04            1.3e+004     0          
     Persistence Time: 2.07e+003 hr

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