ChemSpider 2D Image | (1R,6S)-N-(2,6-Dichloro-4-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide | C14H18Cl2N4O

(1R,6S)-N-(2,6-Dichloro-4-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

  • Molecular FormulaC14H18Cl2N4O
  • Average mass329.225 Da
  • Monoisotopic mass328.085754 Da
  • ChemSpider ID29614738

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,6S)-N-(2,6-Dichlor-4-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-carboxamid [German] [ACD/IUPAC Name]
(1R,6S)-N-(2,6-Dichloro-4-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide [ACD/IUPAC Name]
(1R,6S)-N-(2,6-Dichloro-4-pyridinyl)-9-méthyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide [French] [ACD/IUPAC Name]
3,9-Diazabicyclo[4.2.1]nonane-3-carboxamide, N-(2,6-dichloro-4-pyridinyl)-9-methyl-, (1R,6S)- [ACD/Index Name]
(1R*,6S*)-N-(2,6-dichloropyridin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 3.29
ACD/KOC (pH 7.4): 30.86
Polar Surface Area: 48 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement