ChemSpider 2D Image | [4-(3-Chlorophenyl)-1-piperazinyl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanethione | C21H30ClN3S

[4-(3-Chlorophenyl)-1-piperazinyl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanethione

  • Molecular FormulaC21H30ClN3S
  • Average mass392.001 Da
  • Monoisotopic mass391.184906 Da
  • ChemSpider ID60462001

More details:

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

[4-(3-Chlorophenyl)-1-piperazinyl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanethione [ACD/IUPAC Name]
[4-(3-Chlorophényl)-1-pipérazinyl](1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthanethione [French] [ACD/IUPAC Name]
[4-(3-Chlorphenyl)-1-piperazinyl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanthion [German] [ACD/IUPAC Name]
Methanethione, [4-(3-chlorophenyl)-1-piperazinyl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 561.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4736.44
ACD/KOC (pH 5.5): 14785.73
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4837.45
ACD/KOC (pH 7.4): 15101.06
Polar Surface Area: 42 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 327.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement