Found 140 results

Search term: MF = 'C_{23}H_{26}ClNO'
ChemSpider 2D Image | N-({2-[(2-Chlorobenzyl)oxy]-1-naphthyl}methyl)-1-pentanamine | C23H26ClNO

N-({2-[(2-Chlorobenzyl)oxy]-1-naphthyl}methyl)-1-pentanamine

  • Molecular FormulaC23H26ClNO
  • Average mass367.912 Da
  • Monoisotopic mass367.170288 Da
  • ChemSpider ID3909542

More details:

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

1-Naphthalenemethanamine, 2-[(2-chlorophenyl)methoxy]-N-pentyl- [ACD/Index Name]
N-({2-[(2-Chlorbenzyl)oxy]-1-naphthyl}methyl)-1-pentanamin [German] [ACD/IUPAC Name]
N-({2-[(2-Chlorobenzyl)oxy]-1-naphthyl}methyl)-1-pentanamine [ACD/IUPAC Name]
N-({2-[(2-Chlorobenzyl)oxy]-1-naphtyl}méthyl)-1-pentanamine [French] [ACD/IUPAC Name]
({2-[(2-CHLOROPHENYL)METHOXY]NAPHTHALEN-1-YL}METHYL)(PENTYL)AMINE
[2-(2-Chloro-benzyloxy)-naphthalen-1-ylmethyl]-pentyl-amine
893586-22-6 [RN]
N-({2-[(2-chlorobenzyl)oxy]naphthalen-1-yl}methyl)pentan-1-amine
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]pentan-1-amine

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 499.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.8±3.0 kJ/mol
    Flash Point: 256.0±24.6 °C
    Index of Refraction: 1.598
    Molar Refractivity: 111.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 7.04
    ACD/LogD (pH 5.5): 4.12
    ACD/BCF (pH 5.5): 155.32
    ACD/KOC (pH 5.5): 187.16
    ACD/LogD (pH 7.4): 5.49
    ACD/BCF (pH 7.4): 3658.46
    ACD/KOC (pH 7.4): 4408.38
    Polar Surface Area: 21 Å2
    Polarizability: 44.3±0.5 10-24cm3
    Surface Tension: 43.0±3.0 dyne/cm
    Molar Volume: 327.9±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) =  7.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  475.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  191.79  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.06E-009  (Modified Grain method)
    Subcooled liquid VP: 1.16E-007 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):  0.04172
       log Kow used: 7.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0033044 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.44E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.390E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.11  (KowWin est)
  Log Kaw used:  -7.230  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.340
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7841
   Biowin2 (Non-Linear Model)     :   0.7252
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4442  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5410  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0211
   Biowin6 (MITI Non-Linear Model):   0.0101
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4732
 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):  1.55E-005 Pa (1.16E-007 mm Hg)
  Log Koa (Koawin est  ): 14.340
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.194 
       Octanol/air (Koa) model:  53.7 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.875 
       Mackay model           :  0.939 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 209.9600 E-12 cm3/molecule-sec
      Half-Life =     0.051 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.611 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.907 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.417E+006
      Log Koc:  6.534 

 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 = 4.661 (BCF = 4.581e+004)
       log Kow used: 7.11 (estimated)

 Volatilization from Water:
    Henry LC:  1.44E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 7.799E+005  hours   (3.25E+004 days)
    Half-Life from Model Lake : 8.508E+006  hours   (3.545E+005 days)

 Removal In Wastewater Treatment:
    Total removal:              93.89  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.11  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       0.0134          1.22         1000       
   Water     1.99            900          1000       
   Soil      32.3            1.8e+003     1000       
   Sediment  65.7            8.1e+003     0          
     Persistence Time: 3.27e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement