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(E,E)-hydramethylnon

Molecular FormulaC₂₅H₂₄F₆N₄
Average mass494.475 Da
Monoisotopic mass494.190521 Da
ChemSpider ID4445168

- Double-bond stereo

More details:

Featured data source

Names and Synonyms
Database ID(s)

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

(E,E)-hydramethylnon

(1E,4E)-1,5-Bis[4-(trifluormethyl)phenyl]-1,4-pentadien-3-on(5,5-dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)hydrazon

(1E,4E)-1,5-Bis[4-(trifluormethyl)phenyl]penta-1,4-dien-3-on(5,5-dimethyl-1,4,5,6-tetrahydropyrimidin-2-yl)hydrazon

1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one 2-(1,4,5,6-tetrahydro-5,5-dimethyl-2-pyrimidinyl)hydrazone

2-({(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazinylidene)-5,5-dimethylhexahydropyrimidine

2-({(1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazono)-5,5-dimethylhexahydropyrimidine

2(1H)-pyrimidinone, tetrahydro-5,5-dimethyl-, [(2E)-3-[4-(trifluoromethyl)phenyl]-1-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propenylidene]hydrazone

2(1H)-Pyrimidinone, tetrahydro-5,5-dimethyl-, 2-[(2E)-3-[4-(trifluoromethyl)phenyl]-1-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propen-1-ylidene]hydrazone [ACD/Index Name]

2-(2-{(1E,4E)-1,5-Bis[4-(trifluormethyl)phenyl]-1,4-pentadien-3-yliden}hydrazino)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidin [German] [ACD/IUPAC Name]

2-(2-{(1E,4E)-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-ylidene}hydrazino)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine [ACD/IUPAC Name]

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2-(2-{(1E,4E)-1,5-Bis[4-(trifluorométhyl)phényl]-1,4-pentadién-3-ylidène}hydrazino)-5,5-diméthyl-1,4,5,6-tétrahydropyrimidine [French] [ACD/IUPAC Name]

2-(2-{(1E,4E)-1,5-Bis[4-(trifluorométhyl)phényl]-1,4-pentadièn-3-ylidène}hydrazino)-5,5-diméthyl-1,4,5,6-tétrahydropyrimidine

2-(2-{(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene}hydrazino)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine

405-090-9 [EINECS]

5,5-dimethyl-2-{[(2E)-3-[4-(trifluoromethyl)phenyl]-1-{(E)-2-[4-(trifluoromethyl)phenyl]ethenyl}prop-2-en-1-ylidene]hydrazono}hexahydropyrimidine

6015162 [Beilstein]

hydramethylnon [BSI] [ISO] [Wiki]

J265GZ7MFJ

MFCD00128045 [EINECS] [MDL number]

NSC 379665

Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone[3-[4-(trifluoromethyl)phenyl]-1-[2-[4-(trifluoromethyl)phenyl]ethenyl]-2-propylidene]hydrazone

UW7583000

"(E,E)-HYDRAMETHYLNON"

((3E)-2-{(1E)-2-[4-(trifluoromethyl)phenyl]vinyl}-4-[4-(trifluoromethyl)phenyl]-1-azabuta-1,3-dienyl)(5,5-dimethyl(3,4,5,6-tetrahydropyrimidin-2-yl))amine

(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one (5,5-dimethyltetrahydro-2(1H)-pyrimidinylidene)hydrazone

[67485-29-4] [RN]

2(1H)-PYRIMIDINONE, TETRAHYDRO-5,5-DIMETHYL-,[3-[4-(TRIFLUOROMETHYL)PHENYL]-1-[2-[4-(TRIFLUOROMETHYL)PHENYL]ETHENYL]-2-PROPENYLIDENE]HYDRAZONE

2-(2-((1E,4E)-1,5-bis(4-(trifluoromethyl)phenyl)penta-1,4-dien-3-ylidene)hydrazinyl)-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine

5,5-dimethyl-N-[[(E)-3-[4-(trifluoromethyl)phenyl]-1-[(E)-2-[4-(trifluoromethyl)phenyl]vinyl]prop-2-enylidene]amino]hexahydropyrimidin-2-imine

5,5-dimethyltetrahydropyrimidin-2(1H)-one [(2E)-3-[4-(trifluoromethyl)phenyl]-1-{(E)-2-[4-(trifluoromethyl)phenyl]ethenyl}prop-2-en-1-ylidene]hydrazone

70829-12-8 [RN]

9095665 [Beilstein]

AC 217,300| NSC 379665

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL464812/

Hydramethylnon 10 ?g/mL in Toluene

Hydramethylnon 10 µg/mL in Toluene

Hydramethylon

N-[[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]amino]-5,5-dimethyl-1,3-diazinan-2-imine

N-[1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylideneamino]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-amine

Pyramdron

QA-6479

UNII:J265GZ7MFJ

UNII-J265GZ7MFJ

ヒドラメチルノン [Japanese]

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

AC 217300 [DBID]

AI3-29349 [DBID]

BRN 6015162 [DBID]

C10994 [DBID]

Caswell No. 642AB [DBID]

Caswell No. 839A [DBID]

CL 217300 [DBID]

EPA Pesticide Chemical Code 118401 [DBID]

HSDB 6673 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  190 °C Jean-Claude Bradley Open Melting Point Dataset 25599
Gas Chromatography
- Retention Index (Kovats):
  
  3285 (estimated with error: 89) NIST Spectra mainlib_291698, replib_290238

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

Density:	1.2±0.1 g/cm³
Boiling Point:	510.5±60.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization:	78.1±3.0 kJ/mol
Flash Point:	262.6±32.9 °C
Index of Refraction:	1.527
Molar Refractivity:	122.8±0.5 cm³
#H bond acceptors:	4
#H bond donors:	2
#Freely Rotating Bonds:	7
#Rule of 5 Violations:	1

ACD/LogP:	8.27
ACD/LogD (pH 5.5):	5.38
ACD/BCF (pH 5.5):	2515.84
ACD/KOC (pH 5.5):	2715.03
ACD/LogD (pH 7.4):	6.51
ACD/BCF (pH 7.4):	34389.40
ACD/KOC (pH 7.4):	37112.16
Polar Surface Area:	49 Å²
Polarizability:	48.7±0.5 10^-24cm³
Surface Tension:	34.0±7.0 dyne/cm
Molar Volume:	399.6±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) =  7.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  564.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  242.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.7E-012  (Modified Grain method)
    Subcooled liquid VP: 6.15E-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):  0.0002814
       log Kow used: 7.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00074736 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.12E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.243E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.54  (KowWin est)
  Log Kaw used:  -8.479  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.019
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.7126
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.8684  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.4321  (weeks-months)
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4563
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9549
 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):  8.2E-008 Pa (6.15E-010 mm Hg)
  Log Koa (Koawin est  ): 16.019
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  36.6 
       Octanol/air (Koa) model:  2.56E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.7043 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 140.9043 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.021 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.911 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.100000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     4.200000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =    13.097 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     6.549 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  8.442E+008
      Log Koc:  8.926 

 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 = 4.067 (BCF = 1.167e+004)
       log Kow used: 7.54 (estimated)

 Volatilization from Water:
    Henry LC:  8.12E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.603E+007  hours   (6.681E+005 days)
    Half-Life from Model Lake : 1.749E+008  hours   (7.288E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              93.98  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.20  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       0.00684         1.77         1000       
   Water     0.758           4.32e+003    1000       
   Soil      41.2            8.64e+003    1000       
   Sediment  58.1            3.89e+004    0          
     Persistence Time: 1.1e+004 hr

Click to predict properties on the Chemicalize site

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(E,E)-hydramethylnon

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Experimental Melting Point:

Retention Index (Kovats):

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