ChemSpider 2D Image | (E)-1-[(1R,4aR,9aR)-1-Allyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-yl]-N-(1-phenylpentyl)methanimine | C28H35N

(E)-1-[(1R,4aR,9aR)-1-Allyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-yl]-N-(1-phenylpentyl)methanimine

  • Molecular FormulaC28H35N
  • Average mass385.584 Da
  • Monoisotopic mass385.276947 Da
  • ChemSpider ID74103083

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(E)-1-[(1R,4aR,9aR)-1-Allyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-yl]-N-(1-phenylpentyl)methanimin [German] [ACD/IUPAC Name]
(E)-1-[(1R,4aR,9aR)-1-Allyl-2,3,4,4a,9,9a-hexahydro-1H-fluoren-1-yl]-N-(1-phenylpentyl)methanimine [ACD/IUPAC Name]
(E)-1-[(1R,4aR,9aR)-1-Allyl-2,3,4,4a,9,9a-hexahydro-1H-fluorén-1-yl]-N-(1-phénylpentyl)méthanimine [French] [ACD/IUPAC Name]
Benzenemethanamine, α-butyl-N-[(1E)-[(1R,4aR,9aR)-2,3,4,4a,9,9a-hexahydro-1-(2-propen-1-yl)-1H-fluoren-1-yl]methylene]- [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: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 254.7±30.9 °C
Index of Refraction: 1.575
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.50
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 125082.65
ACD/KOC (pH 5.5): 95900.54
ACD/LogD (pH 7.4): 7.95
ACD/BCF (pH 7.4): 639306.88
ACD/KOC (pH 7.4): 490154.91
Polar Surface Area: 12 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 37.8±7.0 dyne/cm
Molar Volume: 377.4±7.0 cm3

Click to predict properties on the Chemicalize site


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