ChemSpider 2D Image | 4-D | C11H14D3NO3

4-D

  • Molecular FormulaC11H14D3NO3
  • Average mass214.276 Da
  • Monoisotopic mass214.139679 Da
  • ChemSpider ID23553050
  • Non-standard isotope - Non-standard isotope


More details:






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

2-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}ethanamin [German] [ACD/IUPAC Name]
2-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}ethanamine [ACD/IUPAC Name]
2-{3,5-Diméthoxy-4-[(2H3)méthyloxy]phényl}éthanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-4-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.1±0.0 g/cm3
Boiling Point: 312.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 55.3±0.0 kJ/mol
Flash Point: 145.8±0.0 °C
Index of Refraction: 1.512
Molar Refractivity: 59.4±0.0 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 23.5±0.0 10-24cm3
Surface Tension: 35.4±0.0 dyne/cm
Molar Volume: 197.9±0.0 cm3

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