ChemSpider 2D Image | (3aS,5aS,7S,8S)-8-[(2Z)-2-Hexen-1-yl]-7-propyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-2-amine | C19H31N3

(3aS,5aS,7S,8S)-8-[(2Z)-2-Hexen-1-yl]-7-propyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-2-amine

  • Molecular FormulaC19H31N3
  • Average mass301.470 Da
  • Monoisotopic mass301.251801 Da
  • ChemSpider ID44210790

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,5aS,7S,8S)-8-[(2Z)-2-Hexen-1-yl]-7-propyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]chinazolin-2-amin [German] [ACD/IUPAC Name]
(3aS,5aS,7S,8S)-8-[(2Z)-2-Hexen-1-yl]-7-propyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-2-amine [ACD/IUPAC Name]
(3aS,5aS,7S,8S)-8-[(2Z)-2-Hexén-1-yl]-7-propyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-2-amine [French] [ACD/IUPAC Name]
Cyclopenta[de]quinazolin-2-amine, 8-[(2Z)-2-hexen-1-yl]-3,3a,4,5,5a,6,7,8-octahydro-7-propyl-, (3aS,5aS,7S,8S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 218.2±26.8 °C
Index of Refraction: 1.618
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 23.38
ACD/KOC (pH 5.5): 89.76
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 23.40
ACD/KOC (pH 7.4): 89.80
Polar Surface Area: 50 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 257.4±7.0 cm3

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