ChemSpider 2D Image | 3-{2,6-Dibromo-4-[1-methoxy-2-(methoxyamino)ethyl]phenoxy}-1-propanamine | C13H20Br2N2O3

3-{2,6-Dibromo-4-[1-methoxy-2-(methoxyamino)ethyl]phenoxy}-1-propanamine

  • Molecular FormulaC13H20Br2N2O3
  • Average mass412.117 Da
  • Monoisotopic mass409.984039 Da
  • ChemSpider ID40256548

More details:

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

3-{2,6-Dibrom-4-[1-methoxy-2-(methoxyamino)ethyl]phenoxy}-1-propanamin [German] [ACD/IUPAC Name]
3-{2,6-Dibromo-4-[1-methoxy-2-(methoxyamino)ethyl]phenoxy}-1-propanamine [ACD/IUPAC Name]
3-{2,6-Dibromo-4-[1-méthoxy-2-(méthoxyamino)éthyl]phénoxy}-1-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-(3-aminopropoxy)-3,5-dibromo-N,β-dimethoxy- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 460.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.92
Polar Surface Area: 66 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 270.6±3.0 cm3

Click to predict properties on the Chemicalize site


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