ChemSpider 2D Image | 3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl(~2~H_3_)benzamide | C16H19D3Cl2N2O

3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl(2H3)benzamide

  • Molecular FormulaC16H19D3Cl2N2O
  • Average mass332.283 Da
  • Monoisotopic mass331.129761 Da
  • ChemSpider ID107447996

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3,4-Dichlor-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl(2H3)benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl(2H3)benzamide [ACD/IUPAC Name]
3,4-Dichloro-N-[(1R,2R)-2-(diméthylamino)cyclohexyl]-N-méthyl(2H3)benzamide [French] [ACD/IUPAC Name]
Benzamide-2,3,6-d3, 4,5-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl- [ACD/Index Name]
U-47700-D3missing

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 234.9±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 16.39
Polar Surface Area: 24 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement