ChemSpider 2D Image | 6-(4-Methyl-1-piperidinyl)-3-pyridinamine | C11H17N3

6-(4-Methyl-1-piperidinyl)-3-pyridinamine

  • Molecular FormulaC11H17N3
  • Average mass191.273 Da
  • Monoisotopic mass191.142242 Da
  • ChemSpider ID11862490

More details:

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

3-Pyridinamine, 6-(4-methyl-1-piperidinyl)- [ACD/Index Name]
6-(4-Methyl-1-piperidinyl)-3-pyridinamin [German] [ACD/IUPAC Name]
6-(4-Methyl-1-piperidinyl)-3-pyridinamine [ACD/IUPAC Name]
6-(4-Méthyl-1-pipéridinyl)-3-pyridinamine [French] [ACD/IUPAC Name]
6-(4-methylpiperidin-1-yl)pyridin-3-amine
767583-34-6 [RN]
[767583-34-6] [RN]
3-AMINO-6-(4-METHYLPIPERIDIN-1-YL)PYRIDINE
3-Amino-6-(4-methylpiperidino)pyridine
5,10-dihydro-5,10-dioxonaphtho(2,3-b)(1,4)dithiazine-2,3-dicarbonitrile; 1,4-dithiaanthraquinone-2,3-dicarbonitrile; 1,4-dithiaanthraquinone-2,3-dinitrile; 2,3-dicarbonitrilo-1,4-diathiaanthrachinon; 2,3-dinitrilo-1,4-dithia-9,10-anthraquinone; 2,3-dinitrilo-1,4-dithiaanthraquinone; 2,3-dinitrilo-1,4-dithia-anthraquinone; 2,3-dinitrilo-1,4-dithioanthrachinon; 3-b)-1,4-dithiin-2,3-dicarbonitrile,5,10-dihydro-5,10-dioxo-naphtho(;Dithianon
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 384.3±27.0 °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: 186.2±23.7 °C
    Index of Refraction: 1.570
    Molar Refractivity: 58.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.54
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 3.01
    ACD/KOC (pH 7.4): 54.93
    Polar Surface Area: 42 Å2
    Polarizability: 23.0±0.5 10-24cm3
    Surface Tension: 46.3±3.0 dyne/cm
    Molar Volume: 177.2±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) =  2.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  321.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  108.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.46E-005  (Modified Grain method)
    Subcooled liquid VP: 0.00063 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):  365.1
       log Kow used: 2.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  89062 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.43E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.521E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.49  (KowWin est)
  Log Kaw used:  -8.654  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.144
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0629
   Biowin2 (Non-Linear Model)     :   0.0042
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1726  (months      )
   Biowin4 (Primary Survey Model) :   3.1566  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0165
   Biowin6 (MITI Non-Linear Model):   0.0131
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6820
 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):  0.084 Pa (0.00063 mm Hg)
  Log Koa (Koawin est  ): 11.144
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.57E-005 
       Octanol/air (Koa) model:  0.0342 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00129 
       Mackay model           :  0.00285 
       Octanol/air (Koa) model:  0.732 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  72.8582 E-12 cm3/molecule-sec
      Half-Life =     0.147 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.762 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00207 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1546
      Log Koc:  3.189 

 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 = 1.214 (BCF = 16.37)
       log Kow used: 2.49 (estimated)

 Volatilization from Water:
    Henry LC:  5.43E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.491E+007  hours   (6.214E+005 days)
    Half-Life from Model Lake : 1.627E+008  hours   (6.778E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               3.07  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.97  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       0.000314        3.52         1000       
   Water     14.8            1.44e+003    1000       
   Soil      85.1            2.88e+003    1000       
   Sediment  0.125           1.3e+004     0          
     Persistence Time: 2.35e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement