ChemSpider 2D Image | 7-(2-Ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole | C20H24N2O

7-(2-Ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

  • Molecular FormulaC20H24N2O
  • Average mass308.417 Da
  • Monoisotopic mass308.188873 Da
  • ChemSpider ID23167433

More details:

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

1H-[1,4]Diazepino[1,7-a]indole, 7-(2-ethoxyphenyl)-2,3,4,5,11,11a-hexahydro- [ACD/Index Name]
7-(2-Ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indol [German] [ACD/IUPAC Name]
7-(2-Ethoxyphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole [ACD/IUPAC Name]
7-(2-Éthoxyphényl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazépino[1,7-a]indole [French] [ACD/IUPAC Name]
7-(2-Ethoxy-phenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole
CHEMBL76099

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.2±28.7 °C
Index of Refraction: 1.631
Molar Refractivity: 93.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 18.43
Polar Surface Area: 25 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 263.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement