ChemSpider 2D Image | N,N-Diallyl-6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(4-chlorophenyl)-4-pyrimidinamine | C28H29Cl2N5

N,N-Diallyl-6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(4-chlorophenyl)-4-pyrimidinamine

  • Molecular FormulaC28H29Cl2N5
  • Average mass506.469 Da
  • Monoisotopic mass505.179993 Da
  • ChemSpider ID121896669

More details:

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

4-Pyrimidinamine, 6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(4-chlorophenyl)-N,N-di-2-propen-1-yl- [ACD/Index Name]
N,N-Diallyl-6-(8-chlor-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-2-(4-chlorphenyl)-4-pyrimidinamin [German] [ACD/IUPAC Name]
N,N-Diallyl-6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-2-(4-chlorophényl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N,N-Diallyl-6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(4-chlorophenyl)-4-pyrimidinamine [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.9±30.1 °C
Index of Refraction: 1.675
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 3896.12
ACD/KOC (pH 5.5): 5361.65
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 72721.91
ACD/KOC (pH 7.4): 100076.23
Polar Surface Area: 36 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 383.3±5.0 cm3

Click to predict properties on the Chemicalize site


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