ChemSpider 2D Image | 3-Methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluoren-7-ol | C16H20N2O

3-Methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluoren-7-ol

  • Molecular FormulaC16H20N2O
  • Average mass256.343 Da
  • Monoisotopic mass256.157562 Da
  • ChemSpider ID24626340

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3,7a-Diazacyclohepta[jk]fluoren-7-ol, 1,2,3,3a,4,5,6,7-octahydro-3-methyl- [ACD/Index Name]
3-Methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluoren-7-ol [ACD/IUPAC Name]
3-Methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluoren-7-ol [German] [ACD/IUPAC Name]
3-Méthyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluorén-7-ol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 452.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 227.3±28.7 °C
Index of Refraction: 1.696
Molar Refractivity: 74.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 13.59
Polar Surface Area: 28 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement