ChemSpider 2D Image | 1-{3,5-Dimethoxy-4-[(~2~H_3_)methyloxy]phenyl}-2-propanamine | C12H16D3NO3

1-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}-2-propanamine

  • Molecular FormulaC12H16D3NO3
  • Average mass228.303 Da
  • Monoisotopic mass228.155319 Da
  • ChemSpider ID21106241
  • Non-standard isotope - Non-standard isotope


More details:






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

1-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}-2-propanamin [German] [ACD/IUPAC Name]
1-{3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}-2-propanamine [ACD/IUPAC Name]
1-{3,5-Diméthoxy-4-[(2H3)méthyloxy]phényl}-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-α-methyl-4-(methyl-d3-oxy)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 321.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 148.6±20.2 °C
Index of Refraction: 1.507
Molar Refractivity: 64.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 214.8±3.0 cm3

Click to predict properties on the Chemicalize site






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