ChemSpider 2D Image | 2-[5-({[(5-Chloro-2-thienyl)methyl](methyl)amino}methyl)-1,2,4-oxadiazol-3-yl]-2-propanamine | C12H17ClN4OS

2-[5-({[(5-Chloro-2-thienyl)methyl](methyl)amino}methyl)-1,2,4-oxadiazol-3-yl]-2-propanamine

  • Molecular FormulaC12H17ClN4OS
  • Average mass300.808 Da
  • Monoisotopic mass300.081146 Da
  • ChemSpider ID39139104

More details:

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

1,2,4-Oxadiazole-3,5-dimethanamine, N5-[(5-chloro-2-thienyl)methyl]-N5,α3,α3-trimethyl- [ACD/Index Name]
2-[5-({[(5-Chlor-2-thienyl)methyl](methyl)amino}methyl)-1,2,4-oxadiazol-3-yl]-2-propanamin [German] [ACD/IUPAC Name]
2-[5-({[(5-Chloro-2-thienyl)methyl](methyl)amino}methyl)-1,2,4-oxadiazol-3-yl]-2-propanamine [ACD/IUPAC Name]
2-[5-({[(5-Chloro-2-thiényl)méthyl](méthyl)amino}méthyl)-1,2,4-oxadiazol-3-yl]-2-propanamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.7±30.7 °C
Index of Refraction: 1.587
Molar Refractivity: 77.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.32
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 11.67
ACD/KOC (pH 7.4): 192.32
Polar Surface Area: 96 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 231.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement