ChemSpider 2D Image | 1-(6-Methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)-1-propanone | C12H15NO4

1-(6-Methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)-1-propanone

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID59718619

More details:

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

1-(6-Methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)-1-propanon [German] [ACD/IUPAC Name]
1-(6-Methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)-1-propanone [ACD/IUPAC Name]
1-(6-Méthoxy-1,3-benzodioxol-5-yl)-2-(méthylamino)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(6-methoxy-1,3-benzodioxol-5-yl)-2-(methylamino)- [ACD/Index Name]
1-(6-methoxy-1,3-benzodioks-5-yl)-2-(methylamine)propan-1-one
N-methyl-bk-MMDA-2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 375.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 180.7±27.9 °C
Index of Refraction: 1.537
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.05
ACD/KOC (pH 7.4): 70.06
Polar Surface Area: 57 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 198.4±3.0 cm3

Click to predict properties on the Chemicalize site


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