ChemSpider 2D Image | N-{[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl}-N-methyl-beta-alanine | C13H15F2NO5

N-{[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl}-N-methyl-β-alanine

  • Molecular FormulaC13H15F2NO5
  • Average mass303.259 Da
  • Monoisotopic mass303.091827 Da
  • ChemSpider ID53957725

More details:

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

N-{[6-(Difluormethoxy)-1,3-benzodioxol-5-yl]methyl}-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-{[6-(Difluoromethoxy)-1,3-benzodioxol-5-yl]methyl}-N-methyl-β-alanine [ACD/IUPAC Name]
N-{[6-(Difluorométhoxy)-1,3-benzodioxol-5-yl]méthyl}-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 390.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 190.0±27.9 °C
Index of Refraction: 1.531
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 68 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 220.1±3.0 cm3

Click to predict properties on the Chemicalize site


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