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Search term: QZMXFYXIDZEAQA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-propanone | C11H13NO3

1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-propanone

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID75062342

More details:

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

1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
1-(1,3-Benzodioxol-4-yl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(1,3-benzodioxol-4-yl)-2-(methylamino)- [ACD/Index 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: 338.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.5±27.9 °C
Index of Refraction: 1.547
Molar Refractivity: 55.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 92.31
Polar Surface Area: 48 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 174.3±3.0 cm3

Click to predict properties on the Chemicalize site


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