ChemSpider 2D Image | Kinetin | C10H9N5O

Kinetin

  • Molecular FormulaC10H9N5O
  • Average mass215.211 Da
  • Monoisotopic mass215.080704 Da
  • ChemSpider ID3698

More details:



Featured data source



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

208-382-2 [EINECS]
3H-Purin-6-amine, N-(2-furanylmethyl)- [ACD/Index Name]
525-79-1 [RN]
6-(Furfurylamino)purine
6-Furfurylaminopurine [Wiki]
7H-Purin-6-amine, N-(2-furanylmethyl)- [ACD/Index Name]
Adenine, N-furfuryl-
Kinetin [Wiki]
N-(2-Furylmethyl)-3H-purin-6-amin [German] [ACD/IUPAC Name]
N-(2-Furylmethyl)-3H-purin-6-amine [ACD/IUPAC Name]
More...

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

48130_FLUKA [DBID]
BAS 00381216 [DBID]
C08272 [DBID]
Caswell No. 272D [DBID]
DivK1c_000011 [DBID]
EPA Pesticide Chemical Code 116801 [DBID]
K0753_SIGMA [DBID]
K1885_SIGMA [DBID]
K3253_SIGMA [DBID]
K3378_SIGMA [DBID]
More...
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A13720
      IRRITANT Matrix Scientific 079752
      Irritant SynQuest 64871
      Irritant/Store at -20°C SynQuest 4H56-1-H4
      P261; P262 Biosynth K-4000
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar A13720
    • Target Organs:

      Others TargetMol T2223
    • Chemical Class:

      alkaloid Microsource [01500764]
    • Drug Status:

      experimental Microsource [01500764]
    • Compound Source:

      yeast Microsource [01500764]
    • Bio Activity:

      Kinetin (N6-furfuryladenine) belongs to a group of plant growth hormones involved in cell division, differentiation and other physiological processes. MedChem Express
      Kinetin (N6-furfuryladenine) belongs to a group of plant growth hormones involved in cell division, differentiation and other physiological processes.; IC50 Value: ; Target:; Kinetin is one of the widely used components in numerous skin care cosmetics and cosmeceuticals, such as Valeant products kinerase. MedChem Express HY-N0160
      Kinetin (N6-furfuryladenine) belongs to a group of plant growth hormones involved in cell division, differentiation and other physiological processes.;IC50 Value: ;Target:Kinetin is one of the widely used components in numerous skin care cosmetics and cosmeceuticals, such as Valeant products kinerase. Recently, kinetin has the potential to be a treatment for the human splicing disease familial dysautonomia.;In vitro: Kinetin-induced cell death reflected by the morphological changes of nuclei including their invagination, volume increase, chromatin condensation and degradation as well as formation of micronuclei showed by AO/EB and 4,6-diamidino-2-phenylindol staining was accompanied by changes including increase in conductivity of cell electrolytes secreted to culture media, decrease in the number of the G1- and G2-phase cells and appearance of fraction of hypoploid cells as the effect of DNA degradation without ladder formation [1]. The plant cytokinin kinetin dramatically incre MedChem Express HY-N0160
      Others MedChem Express HY-N0160
      Others TargetMol T2223
  • Gas Chromatography

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±27.3 °C
Index of Refraction: 1.756
Molar Refractivity: 59.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.70
ACD/KOC (pH 5.5): 201.85
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.79
ACD/KOC (pH 7.4): 203.43
Polar Surface Area: 80 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 84.6±3.0 dyne/cm
Molar Volume: 144.5±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) =  0.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  441.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  185.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.75E-009  (Modified Grain method)
    MP  (exp database):  266.5 deg C
    Subcooled liquid VP: 7.84E-007 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):  1.124e+004
       log Kow used: 0.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.7008e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.24E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.409E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.60  (KowWin est)
  Log Kaw used:  -12.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.895
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4113
   Biowin2 (Non-Linear Model)     :   0.1241
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5886  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4289  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1004
   Biowin6 (MITI Non-Linear Model):   0.0117
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0738
 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):  0.000105 Pa (7.84E-007 mm Hg)
  Log Koa (Koawin est  ): 12.895
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0287 
       Octanol/air (Koa) model:  1.93 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.509 
       Mackay model           :  0.697 
       Octanol/air (Koa) model:  0.994 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 309.3226 E-12 cm3/molecule-sec
      Half-Life =     0.035 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.897 Min
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 0.603 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  612.6
      Log Koc:  2.787 

 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: 0.60 (estimated)

 Volatilization from Water:
    Henry LC:  1.24E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.927E+010  hours   (2.886E+009 days)
    Half-Life from Model Lake : 7.557E+011  hours   (3.149E+010 days)

 Removal In Wastewater Treatment:
    Total removal:               1.86  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  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       2.41e-006       0.83         1000       
   Water     43.9            900          1000       
   Soil      56              1.8e+003     1000       
   Sediment  0.0876          8.1e+003     0          
     Persistence Time: 1.01e+003 hr




                    

Click to predict properties on the Chemicalize site





Feedback Form