ChemSpider 2D Image | (+)-idazoxan | C11H12N2O2

(+)-idazoxan

  • Molecular FormulaC11H12N2O2
  • Average mass204.225 Da
  • Monoisotopic mass204.089874 Da
  • ChemSpider ID21865832
  • defined stereocentres - 1 of 1 defined stereocentres


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

(+)-idazoxan
(S)-idazoxan
1H-Imidazole, 2-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro- [ACD/Index Name]
2-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro-1H-imidazol [German] [ACD/IUPAC Name]
2-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro-1H-imidazole [ACD/IUPAC Name]
2-[(2S)-2,3-Dihydro-1,4-benzodioxin-2-yl]-4,5-dihydro-1H-imidazole [French] [ACD/IUPAC Name]
84687-15-0 [RN]
79944-58-4 [RN]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51053
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TVQ8F94ARF [DBID]
UNII:TVQ8F94ARF [DBID]
UNII-TVQ8F94ARF [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 397.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 193.9±27.6 °C
Index of Refraction: 1.666
Molar Refractivity: 54.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.25
Polar Surface Area: 43 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 146.5±7.0 cm3

Click to predict properties on the Chemicalize site






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