ChemSpider 2D Image | S-(+)-PZQamine | C12H14N2O

S-(+)-PZQamine

  • Molecular FormulaC12H14N2O
  • Average mass202.252 Da
  • Monoisotopic mass202.110611 Da
  • ChemSpider ID29304902

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(11bS)-1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
(11bS)-1,2,3,6,7,11b-Hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
(11bS)-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, 1,2,3,6,7,11b-hexahydro-, (11bS)- [ACD/Index Name]
S-(+)-PZQamine
99746-73-3 [RN]
L-Praziquanamine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 399.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.5±27.9 °C
Index of Refraction: 1.633
Molar Refractivity: 58.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.61
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 93.25
Polar Surface Area: 32 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 162.7±5.0 cm3

Click to predict properties on the Chemicalize site


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