ChemSpider 2D Image | (4bS)-5-Benzyl-5,6,12,13-tetrahydro-4bH-isoquinolino[2,1-a]quinazoline | C23H22N2

(4bS)-5-Benzyl-5,6,12,13-tetrahydro-4bH-isoquinolino[2,1-a]quinazoline

  • Molecular FormulaC23H22N2
  • Average mass326.434 Da
  • Monoisotopic mass326.178314 Da
  • ChemSpider ID30658868

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4bS)-5-Benzyl-5,6,12,13-tetrahydro-4bH-isochinolino[2,1-a]chinazolin [German] [ACD/IUPAC Name]
(4bS)-5-Benzyl-5,6,12,13-tétrahydro-4bH-isoquinoléino[2,1-a]quinazoline [French] [ACD/IUPAC Name]
(4bS)-5-Benzyl-5,6,12,13-tetrahydro-4bH-isoquinolino[2,1-a]quinazoline [ACD/IUPAC Name]
6H-Isoquino[2,1-a]quinazoline, 4b,5,12,13-tetrahydro-5-(phenylmethyl)-, (4bS)- [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: 482.8±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 220.1±16.3 °C
Index of Refraction: 1.699
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 2970.98
ACD/KOC (pH 5.5): 9539.22
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4356.54
ACD/KOC (pH 7.4): 13987.97
Polar Surface Area: 6 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 266.6±5.0 cm3

Click to predict properties on the Chemicalize site


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