ChemSpider 2D Image | (4aR,8aS)-1-(2,3-Dihydro-1H-inden-2-yl)-6-isobutyldecahydro-1,6-naphthyridine | C21H32N2

(4aR,8aS)-1-(2,3-Dihydro-1H-inden-2-yl)-6-isobutyldecahydro-1,6-naphthyridine

  • Molecular FormulaC21H32N2
  • Average mass312.492 Da
  • Monoisotopic mass312.256561 Da
  • ChemSpider ID23036818

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-1-(2,3-Dihydro-1H-inden-2-yl)-6-isobutyldecahydro-1,6-naphthyridin [German] [ACD/IUPAC Name]
(4aR,8aS)-1-(2,3-Dihydro-1H-inden-2-yl)-6-isobutyldecahydro-1,6-naphthyridine [ACD/IUPAC Name]
(4aR,8aS)-1-(2,3-Dihydro-1H-indén-2-yl)-6-isobutyldécahydro-1,6-naphtyridine [French] [ACD/IUPAC Name]
1,6-Naphthyridine, 1-(2,3-dihydro-1H-inden-2-yl)decahydro-6-(2-methylpropyl)-, (4aR,8aS)- [ACD/Index Name]
(4aR*,8aS*)-1-(2,3-dihydro-1H-inden-2-yl)-6-isobutyldecahydro-1,6-naphthyridine

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

Density: 1.0±0.1 g/cm3
Boiling Point: 420.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 186.9±16.5 °C
Index of Refraction: 1.552
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 13.59
Polar Surface Area: 6 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 303.7±3.0 cm3

Click to predict properties on the Chemicalize site


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