ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine | C25H39NO

(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine

  • Molecular FormulaC25H39NO
  • Average mass369.583 Da
  • Monoisotopic mass369.303162 Da
  • ChemSpider ID24655194

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amin [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-amine [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-(2-méthyl-2-octanyl)-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-amine [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-amine, 3-(1,1-dimethylheptyl)-6a,7,8,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 457.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 204.2±22.0 °C
Index of Refraction: 1.522
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.76
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1126352.63
ACD/LogD (pH 7.4): 8.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1202785.75
Polar Surface Area: 35 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

Click to predict properties on the Chemicalize site


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