ChemSpider 2D Image | N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propyn-1-amine | C13H15NO2

N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propyn-1-amine

  • Molecular FormulaC13H15NO2
  • Average mass217.264 Da
  • Monoisotopic mass217.110275 Da
  • ChemSpider ID21106336

More details:






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

1,3-Benzodioxole-5-ethanamine, α-methyl-N-2-propyn-1-yl- [ACD/Index Name]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propin-1-amin [German] [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propyn-1-amine [ACD/IUPAC Name]
N-[1-(1,3-Benzodioxol-5-yl)-2-propanyl]-2-propyn-1-amine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 347.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 140.3±16.0 °C
Index of Refraction: 1.556
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.91
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 9.48
ACD/KOC (pH 7.4): 131.75
Polar Surface Area: 30 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 192.4±3.0 cm3

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