ChemSpider 2D Image | (3,5-Dichloro-4-methylphenyl){(1R,5S,6r)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}methanone | C16H20Cl2N2O

(3,5-Dichloro-4-methylphenyl){(1R,5S,6r)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}methanone

  • Molecular FormulaC16H20Cl2N2O
  • Average mass327.249 Da
  • Monoisotopic mass326.095276 Da
  • ChemSpider ID29474497

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3,5-Dichlor-4-methylphenyl){(1R,5S,6r)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}methanon [German] [ACD/IUPAC Name]
(3,5-Dichloro-4-methylphenyl){(1R,5S,6r)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl}methanone [ACD/IUPAC Name]
(3,5-Dichloro-4-méthylphényl){(1R,5S,6r)-6-[(diméthylamino)méthyl]-3-azabicyclo[3.1.0]hex-3-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, (3,5-dichloro-4-methylphenyl)[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hex-3-yl]- [ACD/Index Name]
1-[(1R*,5S*,6r)-3-(3,5-dichloro-4-methylbenzoyl)-3-azabicyclo[3.1.0]hex-6-yl]-N,N-dimethylmethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 231.7±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.32
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 13.24
Polar Surface Area: 24 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 257.1±3.0 cm3

Click to predict properties on the Chemicalize site


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