ChemSpider 2D Image | 10-Chloro-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C12H13ClN2O

10-Chloro-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC12H13ClN2O
  • Average mass236.697 Da
  • Monoisotopic mass236.071640 Da
  • ChemSpider ID24598800

More details:

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

1082914-63-3 [RN]
10-Chlor-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
10-Chloro-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
10-Chloro-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
10-Chloro-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11BH)-one
4H-Pyrazino[2,1-a]isoquinolin-4-one, 10-chloro-1,2,3,6,7,11b-hexahydro- [ACD/Index Name]
MFCD11615145 [MDL number]
[1082914-63-3] [RN]
10-chloro-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
10-chloro-1H,2H,3H,4H,6H,7H,11bH-piperazino[2,1-a]isoquinolin-4-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 416.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±3.0 kJ/mol
    Flash Point: 205.7±28.7 °C
    Index of Refraction: 1.644
    Molar Refractivity: 62.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 0.82
    ACD/BCF (pH 5.5): 1.35
    ACD/KOC (pH 5.5): 21.23
    ACD/LogD (pH 7.4): 1.84
    ACD/BCF (pH 7.4): 14.35
    ACD/KOC (pH 7.4): 225.62
    Polar Surface Area: 32 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 57.4±5.0 dyne/cm
    Molar Volume: 173.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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