ChemSpider 2D Image | 2-[(2S)-2-Ethyl-2,3-dihydro-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole | C13H16N2O

2-[(2S)-2-Ethyl-2,3-dihydro-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole

  • Molecular FormulaC13H16N2O
  • Average mass216.279 Da
  • Monoisotopic mass216.126266 Da
  • ChemSpider ID32809577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

143249-86-9 [RN]
1H-Imidazole, 2-[(2S)-2-ethyl-2,3-dihydro-2-benzofuranyl]-4,5-dihydro- [ACD/Index Name]
2-[(2S)-2-Ethyl-2,3-dihydro-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazol [German] [ACD/IUPAC Name]
2-[(2S)-2-Ethyl-2,3-dihydro-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole [ACD/IUPAC Name]
2-[(2S)-2-Éthyl-2,3-dihydro-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole [French] [ACD/IUPAC Name]
143249-88-1 [RN]
89197-32-0 [RN]
Efaroxan [BAN] [INN]
UNII-G00490L21H

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

K581961KWU [DBID]
Lopac-E-3263 [DBID]
NCGC00015410-01 [DBID]
NCGC00024793-01 [DBID]
Tocris-0792 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 187.9±24.8 °C
Index of Refraction: 1.627
Molar Refractivity: 62.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.83
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 10.91
Polar Surface Area: 34 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 45.1±7.0 dyne/cm
Molar Volume: 176.8±7.0 cm3

Click to predict properties on the Chemicalize site


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