ChemSpider 2D Image | 3,4-Dimethyl-2,6-dinitro-N-[(2,2,3,4,4-~2~H_5_)-3-pentanyl]aniline | C13H14D5N3O4

3,4-Dimethyl-2,6-dinitro-N-[(2,2,3,4,4-2H5)-3-pentanyl]aniline

  • Molecular FormulaC13H14D5N3O4
  • Average mass286.339 Da
  • Monoisotopic mass286.168945 Da
  • ChemSpider ID24533348

  • Non-standard isotope - Non-standard isotope

More details:

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

1219803-39-0 [RN]
3,4-Dimethyl-2,6-dinitro-N-[(2,2,3,4,4-2H5)-3-pentanyl]anilin [German] [ACD/IUPAC Name]
3,4-Dimethyl-2,6-dinitro-N-[(2,2,3,4,4-2H5)-3-pentanyl]aniline [ACD/IUPAC Name]
3,4-Diméthyl-2,6-dinitro-N-[(2,2,3,4,4-2H5)-3-pentanyl]aniline [French] [ACD/IUPAC Name]
3,4-Dimethyl-2,6-dinitro-N-[(2,2,3,4,4-2H5)pentan-3-yl]aniline
Benzenamine, N-[1-(ethyl-1,1-d2)propyl-1,2,2-d3]-3,4-dimethyl-2,6-dinitro- [ACD/Index Name]
3,4-dimethyl-2,6-dinitro-N-(2,2,3,4,4-pentadeuteriopentan-3-yl)aniline
3,4-dimethyl-2,6-dinitro-N-[1,2,2-trideuterio-1-(1,1-dideuterioethyl)propyl]aniline
N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline
Pendimethalin D5
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 421.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.4±28.7 °C
Index of Refraction: 1.580
Molar Refractivity: 77.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2761.21
ACD/KOC (pH 5.5): 10109.61
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2761.21
ACD/KOC (pH 7.4): 10109.61
Polar Surface Area: 104 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 231.5±3.0 cm3

Click to predict properties on the Chemicalize site


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