ChemSpider 2D Image | N-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamine | C22H34ClN3O2

N-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamine

  • Molecular FormulaC22H34ClN3O2
  • Average mass407.977 Da
  • Monoisotopic mass407.233948 Da
  • ChemSpider ID22210043

More details:

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

[1,4'-Bipiperidine]-4-methanamine, N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-ethyl-1'-methyl- [ACD/Index Name]
N-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamin [German] [ACD/IUPAC Name]
N-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]ethanamine [ACD/IUPAC Name]
N-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-N-[(1'-méthyl-1,4'-bipipéridin-4-yl)méthyl]éthanamine [French] [ACD/IUPAC 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: 485.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.563
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 28 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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