ChemSpider 2D Image | 3-({1-[(4-Bromo-5-chloro-2-thienyl)methyl]-4-piperidinyl}oxy)-1-propanamine | C13H20BrClN2OS

3-({1-[(4-Bromo-5-chloro-2-thienyl)methyl]-4-piperidinyl}oxy)-1-propanamine

  • Molecular FormulaC13H20BrClN2OS
  • Average mass367.733 Da
  • Monoisotopic mass366.016815 Da
  • ChemSpider ID52003394

More details:

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

1-Propanamine, 3-[[1-[(4-bromo-5-chloro-2-thienyl)methyl]-4-piperidinyl]oxy]- [ACD/Index Name]
3-({1-[(4-Brom-5-chlor-2-thienyl)methyl]-4-piperidinyl}oxy)-1-propanamin [German] [ACD/IUPAC Name]
3-({1-[(4-Bromo-5-chloro-2-thienyl)methyl]-4-piperidinyl}oxy)-1-propanamine [ACD/IUPAC Name]
3-({1-[(4-Bromo-5-chloro-2-thiényl)méthyl]-4-pipéridinyl}oxy)-1-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 438.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 219.0±28.7 °C
Index of Refraction: 1.606
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 67 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 250.1±5.0 cm3

Click to predict properties on the Chemicalize site


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