ChemSpider 2D Image | 2-[(2,2,3,3,4,4,5,5-~2~H_8_)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C19H16D8N2O2

2-[(2,2,3,3,4,4,5,5-2H8)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC19H16D8N2O2
  • Average mass320.455 Da
  • Monoisotopic mass320.233978 Da
  • ChemSpider ID57582691
  • Non-standard isotope - Non-standard isotope


More details:






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

2-[(2,2,3,3,4,4,5,5-2H8)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
2-[(2,2,3,3,4,4,5,5-2H8)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
2-[(2,2,3,3,4,4,5,5-2H8)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexyl-2,2,3,3,4,4,5,5-d8-carbonyl)-1,2,3,6,7,11b-hexahydro- [ACD/Index Name]
1246343-36-1 [RN]
2-?(cyclohexyl-?1,?2,?2,?3,?3,?4,?4,?5,?5,?6,?6-?d11-?carbonyl)?-?1,?2,?3,?6,?7,?11b-?hexahydro-4H-?Pyrazino[2,?1-?a]?isoquinolin-?4-?one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 254.6±22.5 °C
Index of Refraction: 1.615
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.12
ACD/KOC (pH 5.5): 714.25
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 68.12
ACD/KOC (pH 7.4): 714.25
Polar Surface Area: 41 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

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