ChemSpider 2D Image | N-[3-Cyclohexen-1-yl(1-mesityl-1H-tetrazol-5-yl)methyl]-2-(1H-indol-3-yl)ethanamine | C27H32N6

N-[3-Cyclohexen-1-yl(1-mesityl-1H-tetrazol-5-yl)methyl]-2-(1H-indol-3-yl)ethanamine

  • Molecular FormulaC27H32N6
  • Average mass440.583 Da
  • Monoisotopic mass440.268860 Da
  • ChemSpider ID57573825

More details:

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

1H-Indole-3-ethanamine, N-[3-cyclohexen-1-yl[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]methyl]- [ACD/Index Name]
N-[3-Cyclohexen-1-yl(1-mesityl-1H-tetrazol-5-yl)methyl]-2-(1H-indol-3-yl)ethanamin [German] [ACD/IUPAC Name]
N-[3-Cyclohexen-1-yl(1-mesityl-1H-tetrazol-5-yl)methyl]-2-(1H-indol-3-yl)ethanamine [ACD/IUPAC Name]
N-[3-Cyclohexén-1-yl(1-mésityl-1H-tétrazol-5-yl)méthyl]-2-(1H-indol-3-yl)éthanamine [French] [ACD/IUPAC Name]
N-{cyclohex-3-en-1-yl[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]methyl}-2-(1H-indol-3-yl)ethanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.2±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 201.99
ACD/KOC (pH 5.5): 538.21
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 5517.66
ACD/KOC (pH 7.4): 14702.04
Polar Surface Area: 71 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 356.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement