ChemSpider 2D Image | Nitroamine | H2N2O2

Nitroamine

  • Molecular FormulaH2N2O2
  • Average mass62.028 Da
  • Monoisotopic mass62.011627 Da
  • ChemSpider ID22941

More details:






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

Nitroamin [German] [ACD/IUPAC Name]
Nitroamine [ACD/IUPAC Name] [Wiki]
Nitroamine [French] [ACD/IUPAC Name]
7782-94-7 [RN]
amidodioxidonitrogen
amidodioxidonitrogen; dihydrido-1κ(2)H-dioxido-2κ(2)O-dinitrogen; nitric amide
dihydrido-1κ(2)H-dioxido-2κ(2)O-dinitrogen
N(NH2)O2
Nitramide
nitric amide
More...

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

c0649 [DBID]
CHEBI:29273 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.429
Molar Refractivity: 11.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 72 Å2
Polarizability: 4.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 45.0±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) =  -3.57

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  683.36  (Adapted Stein & Brown method)
    Melting Pt (deg C):  298.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.9E-019  (Modified Grain method)
    Subcooled liquid VP: 3.24E-016 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: -3.57 (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:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.45E-017  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.405E-026 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.57  (KowWin est)
  Log Kaw used:  -14.740  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.170
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7175
   Biowin2 (Non-Linear Model)     :   0.8922
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0599  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7568  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5153
   Biowin6 (MITI Non-Linear Model):   0.7233
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3984
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.32E-014 Pa (3.24E-016 mm Hg)
  Log Koa (Koawin est  ): 11.170
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.94E+007 
       Octanol/air (Koa) model:  0.0363 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.744 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   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    :  35.04
      Log Koc:  1.545 

 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: -3.57 (estimated)

 Volatilization from Water:
    Henry LC:  4.45E-017 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.045E+013  hours   (4.353E+011 days)
    Half-Life from Model Lake :  1.14E+014  hours   (4.748E+012 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       1.26            1e+005       1000       
   Water     39.6            360          1000       
   Soil      59              720          1000       
   Sediment  0.0725          3.24e+003    0          
     Persistence Time: 539 hr




                    

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