ChemSpider 2D Image | (E)-N-[(1S,4aR,10aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]-1-phenylmethanimine | C26H33N

(E)-N-[(1S,4aR,10aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]-1-phenylmethanimine

  • Molecular FormulaC26H33N
  • Average mass359.547 Da
  • Monoisotopic mass359.261292 Da
  • ChemSpider ID24742638

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(E)-N-[(1S,4aR,10aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]-1-phenylmethanimin [German] [ACD/IUPAC Name]
(E)-N-[(1S,4aR,10aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]-1-phenylmethanimine [ACD/IUPAC Name]
(E)-N-[(1S,4aR,10aS)-7-Isopropyl-1,4a-diméthyl-1,2,3,4,4a,9,10,10a-octahydro-1-phénanthrényl]-1-phénylméthanimine [French] [ACD/IUPAC Name]
1-Phenanthrenamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-N-[(1E)-phenylmethylene]-, (1S,4aR,10aS)- [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: 472.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 232.5±26.5 °C
Index of Refraction: 1.577
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.27
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 121299.76
ACD/KOC (pH 5.5): 104029.98
ACD/LogD (pH 7.4): 7.73
ACD/BCF (pH 7.4): 440258.50
ACD/KOC (pH 7.4): 377577.69
Polar Surface Area: 12 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 36.7±7.0 dyne/cm
Molar Volume: 348.9±7.0 cm3

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