ChemSpider 2D Image | (3aS,5aS,7R,8bR)-8-Butyl-7-methyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]quinazolin-2-amine | C15H25N3

(3aS,5aS,7R,8bR)-8-Butyl-7-methyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]quinazolin-2-amine

  • Molecular FormulaC15H25N3
  • Average mass247.379 Da
  • Monoisotopic mass247.204849 Da
  • ChemSpider ID25996822

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,5aS,7R,8bR)-8-Butyl-7-methyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]chinazolin-2-amin [German] [ACD/IUPAC Name]
(3aS,5aS,7R,8bR)-8-Butyl-7-methyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]quinazolin-2-amine [ACD/IUPAC Name]
(3aS,5aS,7R,8bR)-8-Butyl-7-méthyl-1,3a,4,5,5a,6,7,8b-octahydrocyclopenta[de]quinazolin-2-amine [French] [ACD/IUPAC Name]
Cyclopenta[de]quinazolin-2-amine, 8-butyl-1,3a,4,5,5a,6,7,8b-octahydro-7-methyl-, (3aS,5aS,7R,8bR)- [ACD/Index Name]
ISOPTILOCAULINE
PTILOCAULIN

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

Density: 1.3±0.1 g/cm3
Boiling Point: 380.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.0±25.9 °C
Index of Refraction: 1.665
Molar Refractivity: 71.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 22.38
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 3.36
ACD/KOC (pH 7.4): 22.39
Polar Surface Area: 50 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 193.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement