ChemSpider 2D Image | Ethyl 5-[2-hydroxy-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propoxy]-2-methyl-1-benzofuran-3-carboxylate | C30H34N2O5

Ethyl 5-[2-hydroxy-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propoxy]-2-methyl-1-benzofuran-3-carboxylate

  • Molecular FormulaC30H34N2O5
  • Average mass502.601 Da
  • Monoisotopic mass502.246765 Da
  • ChemSpider ID2124227

More details:

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

3-Benzofurancarboxylic acid, 5-[3-(1,2,3a,4,5,6-hexahydro-8-methyl-3H-pyrazino[3,2,1-jk]carbazol-3-yl)-2-hydroxypropoxy]-2-methyl-, ethyl ester [ACD/Index Name]
5-[2-Hydroxy-3-(8-méthyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propoxy]-2-méthyl-1-benzofurane-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[2-hydroxy-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propoxy]-2-methyl-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[2-hydroxy-3-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)propoxy]-2-methyl-1-benzofuran-3-carboxylat [German] [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: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 383.7±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 118.81
ACD/KOC (pH 5.5): 235.22
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 5993.75
ACD/KOC (pH 7.4): 11866.48
Polar Surface Area: 77 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 376.8±7.0 cm3

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