ChemSpider 2D Image | 4-Hydrazino-2-methyl-6-(2-pyridinyl)pyrimidine | C10H11N5

4-Hydrazino-2-methyl-6-(2-pyridinyl)pyrimidine

  • Molecular FormulaC10H11N5
  • Average mass201.228 Da
  • Monoisotopic mass201.101440 Da
  • ChemSpider ID714078

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

4-Hydrazino-2-methyl-6-(2-pyridinyl)pyrimidin [German] [ACD/IUPAC Name]
4-Hydrazino-2-methyl-6-(2-pyridinyl)pyrimidine [ACD/IUPAC Name]
4-Hydrazino-2-méthyl-6-(2-pyridinyl)pyrimidine [French] [ACD/IUPAC Name]
4-Hydrazino-2-methyl-6-(pyridin-2-yl)pyrimidine
Pyrimidine, 4-hydrazinyl-2-methyl-6-(2-pyridinyl)- [ACD/Index Name]
(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)hydrazine
(2-Methyl-6-pyridin-2-yl-pyrimidin-4-yl)-hydrazine
26069-87-4 [RN]
2-methyl-6-(2-pyridyl)pyrimidine-4-ylhydrazine
4-hydrazino-2-methyl-6-(2-pyridyl)pyrimidine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AC-907/25005038 [DBID]
ZINC00331259 [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: 423.2±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 209.8±25.9 °C
    Index of Refraction: 1.666
    Molar Refractivity: 58.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.09
    ACD/KOC (pH 5.5): 24.67
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 4.42
    ACD/KOC (pH 7.4): 99.70
    Polar Surface Area: 77 Å2
    Polarizability: 23.2±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 157.3±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) =  -0.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  365.10  (Adapted Stein & Brown method)
    Melting Pt (deg C):  149.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.12E-006  (Modified Grain method)
    Subcooled liquid VP: 5.77E-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):  5.632e+004
       log Kow used: -0.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.78E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.467E-011 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.14  (KowWin est)
  Log Kaw used:  -13.709  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.569
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5518
   Biowin2 (Non-Linear Model)     :   0.2870
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4655  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4701  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.2104
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6282
 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):  0.00769 Pa (5.77E-005 mm Hg)
  Log Koa (Koawin est  ): 13.569
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00039 
       Octanol/air (Koa) model:  9.1 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0139 
       Mackay model           :  0.0303 
       Octanol/air (Koa) model:  0.999 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  23.5994 E-12 cm3/molecule-sec
      Half-Life =     0.453 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.439 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0221 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  573.8
      Log Koc:  2.759 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -0.14 (estimated)

 Volatilization from Water:
    Henry LC:  4.78E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.738E+012  hours   (7.24E+010 days)
    Half-Life from Model Lake : 1.895E+013  hours   (7.898E+011 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       6.77e-009       10.9         1000       
   Water     46              900          1000       
   Soil      53.9            1.8e+003     1000       
   Sediment  0.0888          8.1e+003     0          
     Persistence Time: 979 hr

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