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ChemSpider 2D Image | alpidem | C21H23Cl2N3O

alpidem

  • Molecular FormulaC21H23Cl2N3O
  • Average mass404.333 Da
  • Monoisotopic mass403.121826 Da
  • ChemSpider ID49570

More details:






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

2-[6-Chlor-2-(4-chlorphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamid [German] [ACD/IUPAC Name]
2-[6-Chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide [ACD/IUPAC Name]
2-[6-Chloro-2-(4-chlorophényl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacétamide [French] [ACD/IUPAC Name]
5740
6-Chloro-2-(4-chlorophenyl)-N,N-dipropylimidazo[1,2-a]pyridine-3-acetamide
6-Chloro-2-(4-chlorophenyl)-N,N-dipropyl-imidazo[1,2-a]pyridine-3-acetamide
6-Chloro-2-(p-chlorophenyl)-N,N-dipropylimidazo(1,2-a)pyridine-3-acetamide
82626-01-5 [RN]
alpidem [French] [INN]
More...

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

SL 800342 [DBID]
D02833 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3113.78
ACD/KOC (pH 5.5): 10725.13
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3418.73
ACD/KOC (pH 7.4): 11775.54
Polar Surface Area: 38 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 325.5±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) =  6.01

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  571.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  245.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.64E-012  (Modified Grain method)
    Subcooled liquid VP: 4.09E-010 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):  0.0213
       log Kow used: 6.01 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.016224 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.39E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.096E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.01  (KowWin est)
  Log Kaw used:  -13.010  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  19.020
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4550
   Biowin2 (Non-Linear Model)     :   0.0294
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7634  (months      )
   Biowin4 (Primary Survey Model) :   3.0706  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1515
   Biowin6 (MITI Non-Linear Model):   0.0020
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3813
 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):  5.45E-008 Pa (4.09E-010 mm Hg)
  Log Koa (Koawin est  ): 19.020
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  55 
       Octanol/air (Koa) model:  2.57E+006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  54.2234 E-12 cm3/molecule-sec
      Half-Life =     0.197 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.367 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.359E+005
      Log Koc:  5.526 

 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 = 3.926 (BCF = 8435)
       log Kow used: 6.01 (estimated)

 Volatilization from Water:
    Henry LC:  2.39E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.926E+011  hours   (2.052E+010 days)
    Half-Life from Model Lake : 5.374E+012  hours   (2.239E+011 days)

 Removal In Wastewater Treatment:
    Total removal:              92.20  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.43  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       2.23e-005       4.74         1000       
   Water     2.37            1.44e+003    1000       
   Soil      50.2            2.88e+003    1000       
   Sediment  47.5            1.3e+004     0          
     Persistence Time: 5.24e+003 hr




                    

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