ChemSpider 2D Image | N-(~2~H_5_)Ethyl-1,3-benzodioxol-5-amine | C9H6D5NO2

N-(2H5)Ethyl-1,3-benzodioxol-5-amine

  • Molecular FormulaC9H6D5NO2
  • Average mass170.220 Da
  • Monoisotopic mass170.110367 Da
  • ChemSpider ID48061832

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzodioxol-5-amine, N-(ethyl-d5)- [ACD/Index Name]
N-(2H5)Ethyl-1,3-benzodioxol-5-amin [German] [ACD/IUPAC Name]
N-(2H5)Ethyl-1,3-benzodioxol-5-amine [ACD/IUPAC Name]
N-(2H5)Éthyl-1,3-benzodioxol-5-amine [French] [ACD/IUPAC Name]
1216722-76-7 [RN]
N-(1,1,2,2,2-pentadeuterioethyl)-1,3-benzodioxol-5-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 285.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 105.3±13.7 °C
Index of Refraction: 1.599
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 8.08
ACD/KOC (pH 5.5): 118.29
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.60
ACD/KOC (pH 7.4): 301.74
Polar Surface Area: 30 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 136.6±3.0 cm3

Click to predict properties on the Chemicalize site


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