ChemSpider 2D Image | (5S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-1,2-naphthalenediol | C13H16N2O2

(5S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-1,2-naphthalenediol

  • Molecular FormulaC13H16N2O2
  • Average mass232.278 Da
  • Monoisotopic mass232.121185 Da
  • ChemSpider ID23107897

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tétrahydro-1,2-naphtalènediol [French] [ACD/IUPAC Name]
(5S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-1,2-naphthalenediol [ACD/IUPAC Name]
(5S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-1,2-naphthalindiol [German] [ACD/IUPAC Name]
1,2-Naphthalenediol, 5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-, (5S)- [ACD/Index Name]
(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydronaphthalene-1,2-diol
(S)-5-(4,5-Dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-naphthalene-1,2-diol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 494.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 253.0±28.7 °C
Index of Refraction: 1.709
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.97
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 65 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 58.1±7.0 dyne/cm
Molar Volume: 160.3±7.0 cm3

Click to predict properties on the Chemicalize site


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