Found 5 results

Search term: HNJWKRMESUMDQE (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-(3,4-Dimethoxyphenyl)-N-(~2~H_3_)methyl(1,1-~2~H_2_)ethanamine | C11H12D5NO2

2-(3,4-Dimethoxyphenyl)-N-(2H3)methyl(1,1-2H2)ethanamine

  • Molecular FormulaC11H12D5NO2
  • Average mass200.289 Da
  • Monoisotopic mass200.157318 Da
  • ChemSpider ID8234187
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(3,4-Dimethoxyphenyl)-N-(2H3)methyl(1,1-2H2)ethanamin [German] [ACD/IUPAC Name]
2-(3,4-Dimethoxyphenyl)-N-(2H3)methyl(1,1-2H2)ethanamine [ACD/IUPAC Name]
2-(3,4-Diméthoxyphényl)-N-(2H3)méthyl(1,1-2H2)éthanamine [French] [ACD/IUPAC Name]
Benzeneethan-d2-amine, 3,4-dimethoxy-N-(methyl-d3)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.4±3.0 kJ/mol
Flash Point: 115.1±12.6 °C
Index of Refraction: 1.499
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 30 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 31.9±3.0 dyne/cm
Molar Volume: 195.6±3.0 cm3

Click to predict properties on the Chemicalize site






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