ChemSpider 2D Image | N-[(2S)-2,3-Dihydro-1,4-benzoxathiin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamine | C19H23NO4S

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

  • Molecular FormulaC19H23NO4S
  • Average mass361.455 Da
  • Monoisotopic mass361.134766 Da
  • ChemSpider ID23246763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,4-Benzoxathiin-2-methanamine, N-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro-, (2S)- [ACD/Index Name]
N-[(2S)-2,3-Dihydro-1,4-benzoxathiin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamin [German] [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzoxathiin-2-ylmethyl]-2-(2,6-dimethoxyphenoxy)ethanamine [ACD/IUPAC Name]
N-[(2S)-2,3-Dihydro-1,4-benzoxathiin-2-ylméthyl]-2-(2,6-diméthoxyphénoxy)éthanamine [French] [ACD/IUPAC Name]
[(S)-1-(2,3-Dihydro-benzo[1,4]oxathiin-2-yl)methyl]-[2-(2,6-dimethoxy-phenoxy)-ethyl]-amine
CHEMBL181215

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.6±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 9.82
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 50.90
ACD/KOC (pH 7.4): 441.31
Polar Surface Area: 74 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 306.1±3.0 cm3

Click to predict properties on the Chemicalize site


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