ChemSpider 2D Image | 3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide | C16H22Cl2N2O

3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide

  • Molecular FormulaC16H22Cl2N2O
  • Average mass329.265 Da
  • Monoisotopic mass328.110931 Da
  • ChemSpider ID23113403

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,4-Dichlor-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide [ACD/IUPAC Name]
3,4-Dichloro-N-[(1R,2R)-2-(diméthylamino)cyclohexyl]-N-méthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methyl- [ACD/Index Name]
3,4-Dichloro-N-(2-dimethylamino-cyclohexyl)-N-methyl-benzamide
3,4-Dichloro-N-(trans-2-(dimethylamino)cyclohexyl)-N-methylbenzamide
3,4-dichloro-N-[2-(dimethylamine)cyclohexyl]-N-methylbenzamine [ACD/IUPAC Name]
6402-23-9 [RN]
82657-23-6 [RN]
compound 1 [PMID: 2999404]
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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: 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


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