ChemSpider 2D Image | 1-(1,3-Benzodioxol-5-yl)-2-(cyclopropylamino)-1-propanone | C13H15NO3

1-(1,3-Benzodioxol-5-yl)-2-(cyclopropylamino)-1-propanone

  • Molecular FormulaC13H15NO3
  • Average mass233.263 Da
  • Monoisotopic mass233.105194 Da
  • ChemSpider ID37714593

More details:






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

1-(1,3-Benzodioxol-5-yl)-2-(cyclopropylamino)-1-propanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(cyclopropylamino)-1-propanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-5-yl)-2-(cyclopropylamino)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.7±27.9 °C
Index of Refraction: 1.588
Molar Refractivity: 62.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.91
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.26
ACD/KOC (pH 7.4): 125.99
Polar Surface Area: 48 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 185.1±5.0 cm3

Click to predict properties on the Chemicalize site






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