ChemSpider 2D Image | 2-[(2,2,2-~2~H_3_)Ethyl]isonicotinamide | C8H7D3N2O

2-[(2,2,2-2H3)Ethyl]isonicotinamide

  • Molecular FormulaC8H7D3N2O
  • Average mass153.196 Da
  • Monoisotopic mass153.098145 Da
  • ChemSpider ID107438218

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[(2,2,2-2H3)Ethyl]isonicotinamid [German] [ACD/IUPAC Name]
2-[(2,2,2-2H3)Ethyl]isonicotinamide [ACD/IUPAC Name]
2-[(2,2,2-2H3)Éthyl]isonicotinamide [French] [ACD/IUPAC Name]
4-Pyridinecarboxamide, 2-(ethyl-2,2,2-d3)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 279.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 122.7±24.0 °C
Index of Refraction: 1.551
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 34.63
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.77
Polar Surface Area: 56 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 134.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement