ChemSpider 2D Image | N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamine | C19H23NO5

N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamine

  • Molecular FormulaC19H23NO5
  • Average mass345.390 Da
  • Monoisotopic mass345.157623 Da
  • ChemSpider ID25045457
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1,4-Benzodioxin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-, (2S)- [ACD/Index Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamin [German] [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamine [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-ylméthyl]-2-(2,6-diméthoxyphénoxy)éthanamine [French] [ACD/IUPAC Name]
(S)-WB 4101

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 200.0±18.2 °C
Index of Refraction: 1.546
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 18.85
ACD/KOC (pH 7.4): 216.72
Polar Surface Area: 58 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

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