Found 205 results

Search term: MF = 'C_{17}H_{24}N_{8}'
ChemSpider 2D Image | 4,4'-(1,3-Propanediyldiimino)bis(3-aminobenzenecarboximidamide) | C17H24N8

4,4'-(1,3-Propanediyldiimino)bis(3-aminobenzenecarboximidamide)

  • Molecular FormulaC17H24N8
  • Average mass340.426 Da
  • Monoisotopic mass340.212402 Da
  • ChemSpider ID130428

More details:

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

4,4'-(1,3-Propandiyldiimino)bis(3-aminobenzolcarboximidamid) [German] [ACD/IUPAC Name]
4,4'-(1,3-Propanediyldiimino)bis(3-aminobenzenecarboximidamide) [ACD/IUPAC Name]
4,4'-(1,3-Propanediyldiimino)bis(3-aminobenzènecarboximidamide) [French] [ACD/IUPAC Name]
4,4'-(propane-1,3-diyldiimino)bis(3-aminobenzenecarboximidamide)
Benzenecarboximidamide, 4,4'-(1,3-propanediyldiimino)bis[3-amino- [ACD/Index Name]
1,3-Di(4-amidino-2-aminophenylamino)propane
125880-85-5 [RN]
3-amino-4-{[3-({2-amino-4-[(E)-amino(imino)methyl]phenyl}amino)propyl]amino}benzenecarboximidamide
BENZENECARBOXIMIDAMIDE,4,4'-(1,3-PROPANEDIYLDIIMINO)BIS[3-AMINO- (9CI)
Pentamidine analog

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

AIDS007083 [DBID]
AIDS-007083 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 654.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.4±34.3 °C
Index of Refraction: 1.709
Molar Refractivity: 93.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 12
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.38
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 239.3±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) =  -0.92

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  588.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  253.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.72E-013  (Modified Grain method)
    Subcooled liquid VP: 1.48E-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):  4.359e+004
       log Kow used: -0.92 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  314.15 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.06E-028  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.850E-018 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.92  (KowWin est)
  Log Kaw used:  -25.606  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  24.686
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3495
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9071  (months      )
   Biowin4 (Primary Survey Model) :   2.9231  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.7339
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7698
 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):  1.97E-008 Pa (1.48E-010 mm Hg)
  Log Koa (Koawin est  ): 24.686
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  152 
       Octanol/air (Koa) model:  1.19E+012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 264.7811 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    29.085 Min
   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    :  4.638E+005
      Log Koc:  5.666 

 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: -0.92 (estimated)

 Volatilization from Water:
    Henry LC:  6.06E-028 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.783E+024  hours   (7.428E+022 days)
    Half-Life from Model Lake : 1.945E+025  hours   (8.103E+023 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       7.33e-017       0.97         1000       
   Water     49.4            1.44e+003    1000       
   Soil      50.5            2.88e+003    1000       
   Sediment  0.0961          1.3e+004     0          
     Persistence Time: 1.17e+003 hr

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