ChemSpider 2D Image | 3-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-9-ol | C13H16N2O

3-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-9-ol

  • Molecular FormulaC13H16N2O
  • Average mass216.279 Da
  • Monoisotopic mass216.126266 Da
  • ChemSpider ID74888746

More details:






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

3-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-9-ol [German] [ACD/IUPAC Name]
3-Methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-9-ol [ACD/IUPAC Name]
3-Méthyl-1,2,3,4,5,6-hexahydroazépino[4,5-b]indol-9-ol [French] [ACD/IUPAC Name]
Azepino[4,5-b]indol-9-ol, 1,2,3,4,5,6-hexahydro-3-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 414.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 204.3±27.3 °C
Index of Refraction: 1.667
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.73
Polar Surface Area: 39 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 175.9±3.0 cm3

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