ChemSpider 2D Image | (2E)-2-[(1E)-1-{[(Z)-Amino(hydrazono)methyl]hydrazono}-2-propanylidene]hydrazinecarbohydrazonamide | C5H14N10

(2E)-2-[(1E)-1-{[(Z)-Amino(hydrazono)methyl]hydrazono}-2-propanylidene]hydrazinecarbohydrazonamide

  • Molecular FormulaC5H14N10
  • Average mass214.232 Da
  • Monoisotopic mass214.140289 Da
  • ChemSpider ID7837961

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(1E)-1-{[(Z)-Amino(hydrazono)methyl]hydrazono}-2-propanyliden]hydrazincarbohydrazonamid [German] [ACD/IUPAC Name]
(2E)-2-[(1E)-1-{[(Z)-Amino(hydrazono)methyl]hydrazono}-2-propanylidene]hydrazinecarbohydrazonamide [ACD/IUPAC Name]
(2E)-2-[(1E)-1-{[(Z)-Amino(hydrazono)méthyl]hydrazono}-2-propanylidène]hydrazinecarbohydrazonamide [French] [ACD/IUPAC Name]
Hydrazinecarbohydrazonamide, 2-[(2E)-2-[2-[(Z)-aminohydrazinylidenemethyl]hydrazinylidene]-1-methylethylidene]-, (2E)- [ACD/Index Name]
1,1'-(Methylethanediylidenedinitrilo) bis (3-aminoguanidine)
1,1'-(Methylethanediylidenedinitrilo)bis(3-aminoguanidine)
59200-49-6 [RN]
Carbonimidic dihydrazide, 2,2''-(1-methyl-1,2-ethanediylidene)bis-
MBAG
N''-AMINO-N-{[1-(N''-AMINOCARBAMIMIDAMIDOIMINO)PROPAN-2-YLIDENE]AMINO}GUANIDINE

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

Density: 1.7±0.1 g/cm3
Boiling Point: 464.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.6±24.0 °C
Index of Refraction: 1.738
Molar Refractivity: 51.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 178 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 84.5±7.0 dyne/cm
Molar Volume: 127.7±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) =  -4.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  384.49  (Adapted Stein & Brown method)
    Melting Pt (deg C):  140.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.35E-006  (Modified Grain method)
    Subcooled liquid VP: 1.97E-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):  1e+006
       log Kow used: -4.60 (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 :   1.63E-024  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.805E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -4.60  (KowWin est)
  Log Kaw used:  -22.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  17.576
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6456
   Biowin2 (Non-Linear Model)     :   0.4916
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7257  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5386  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0245
   Biowin6 (MITI Non-Linear Model):   0.0232
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5907
 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):  0.00263 Pa (1.97E-005 mm Hg)
  Log Koa (Koawin est  ): 17.576
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00114 
       Octanol/air (Koa) model:  9.25E+004 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0396 
       Mackay model           :  0.0837 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 170.5535 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.753 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0617 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  7936
      Log Koc:  3.900 

 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: -4.60 (estimated)

 Volatilization from Water:
    Henry LC:  1.63E-024 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.257E+020  hours   (2.191E+019 days)
    Half-Life from Model Lake : 5.735E+021  hours   (2.39E+020 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       2.4e-017        1.51         1000       
   Water     46.5            900          1000       
   Soil      53.5            1.8e+003     1000       
   Sediment  0.0892          8.1e+003     0          
     Persistence Time: 973 hr

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