ChemSpider 2D Image | (4-Amino-4-carboxy-2,2,6,6-tetramethyl-1-piperidinyl)oxidanyl | C10H19N2O3

(4-Amino-4-carboxy-2,2,6,6-tetramethyl-1-piperidinyl)oxidanyl

  • Molecular FormulaC10H19N2O3
  • Average mass215.270 Da
  • Monoisotopic mass215.139572 Da
  • ChemSpider ID146522

More details:

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

(4-Amino-4-carboxy-2,2,6,6-tetramethyl-1-piperidinyl)oxidanyl [ACD/IUPAC Name]
(4-Amino-4-carboxy-2,2,6,6-tetramethyl-1-piperidinyl)oxidanyl [German] [ACD/IUPAC Name]
(4-Amino-4-carboxy-2,2,6,6-tétraméthyl-1-pipéridinyl)oxydanyl [French] [ACD/IUPAC Name]
1-Piperidinyloxy, 4-amino-4-carboxy-2,2,6,6-tetramethyl- [ACD/Index Name]
(4-amino-4-carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
15871-57-5 [RN]
2,2,6,6-TETRAMETHYLPIPERIDINE-1-OXYL-4-AMINO-4-CARBOXYLIC ACID
2,2,6,6-tetramethylpiperidine-N-oxide-4-amino-4-carboxylic acid
2,2,6,6-Tetramethylpiperidine-N-oxyl-4-amino-4-carboxylic acid
3965107 [Beilstein]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:33228 [DBID]
NSC 239127 [DBID]

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -2.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  476.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  303.57  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.28E-013  (Modified Grain method)
    Subcooled liquid VP: 9.48E-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):  2.558e+004
       log Kow used: -2.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.2623e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.63E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.099E-018 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.25  (KowWin est)
  Log Kaw used:  -13.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.926
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3193
   Biowin2 (Non-Linear Model)     :   0.0299
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4739  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5042  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5271
   Biowin6 (MITI Non-Linear Model):   0.2459
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3609
 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):  1.26E-007 Pa (9.48E-010 mm Hg)
  Log Koa (Koawin est  ): 10.926
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  23.7 
       Octanol/air (Koa) model:  0.0207 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  0.999 
       Octanol/air (Koa) model:  0.624 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  91.0152 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.410 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.999 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  91.7
      Log Koc:  1.962 

 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: -2.25 (estimated)

 Volatilization from Water:
    Henry LC:  1.63E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.282E+011  hours   (2.201E+010 days)
    Half-Life from Model Lake : 5.763E+012  hours   (2.401E+011 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       4.97e-005       2.82         1000       
   Water     46.5            900          1000       
   Soil      53.5            1.8e+003     1000       
   Sediment  0.0892          8.1e+003     0          
     Persistence Time: 972 hr

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