ChemSpider 2D Image | halichonadin F | C15H27N

halichonadin F

  • Molecular FormulaC15H27N
  • Average mass221.382 Da
  • Monoisotopic mass221.214355 Da
  • ChemSpider ID23329193
  • defined stereocentres - 6 of 6 defined stereocentres


More details:



Featured data source



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

(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-amin [German] [ACD/IUPAC Name]
(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-amine [ACD/IUPAC Name]
(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tétraméthyldécahydro-1H-cyclopropa[e]azulén-4-amine [French] [ACD/IUPAC Name]
1H-Cycloprop[e]azulen-4-amine, decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aR,7R,7aS,7bS)- [ACD/Index Name]
halichonadin F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 276.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 106.9±9.7 °C
Index of Refraction: 1.483
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 6.45
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 9.05
Polar Surface Area: 26 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 31.8±3.0 dyne/cm
Molar Volume: 241.6±3.0 cm3

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