ChemSpider 2D Image | (4aS)-2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one | C11H13N3O

(4aS)-2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one

  • Molecular FormulaC11H13N3O
  • Average mass203.240 Da
  • Monoisotopic mass203.105865 Da
  • ChemSpider ID23153247

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4aS)-2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]chinoxalin-5(6H)-on [German] [ACD/IUPAC Name]
(4aS)-2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one [ACD/IUPAC Name]
(4aS)-2,3,4,4a-Tétrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)-one [French] [ACD/IUPAC Name]
1H-Pyrazino[1,2-a]quinoxalin-5(6H)-one, 2,3,4,4a-tetrahydro-, (4aS)- [ACD/Index Name]
(S)-2,3,4,4a-Tetrahydro-1H,6H-pyrazino[1,2-a]quinoxalin-5-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL430987/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 436.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.5±28.7 °C
Index of Refraction: 1.663
Molar Refractivity: 57.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.70
Polar Surface Area: 44 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 154.0±5.0 cm3

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