ChemSpider 2D Image | Methyl (1R,4aS)-9-(2-bromoethyl)-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazole-1-carboxylate | C29H34BrNO2

Methyl (1R,4aS)-9-(2-bromoethyl)-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazole-1-carboxylate

  • Molecular FormulaC29H34BrNO2
  • Average mass508.490 Da
  • Monoisotopic mass507.177277 Da
  • ChemSpider ID34550762

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,4aS)-9-(2-Bromoéthyl)-7-isopropyl-1,4a-diméthyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazole-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Dibenzo[a,c]carbazole-1-carboxylic acid, 9-(2-bromoethyl)-2,3,4,4a,9,13c-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, (1R,4aS)- [ACD/Index Name]
Methyl (1R,4aS)-9-(2-bromoethyl)-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazole-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,4aS)-9-(2-bromethyl)-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-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: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 137.3±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.18
ACD/LogD (pH 5.5): 8.70
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1292581.13
ACD/LogD (pH 7.4): 8.70
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1292581.13
Polar Surface Area: 31 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 389.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement