ChemSpider 2D Image | alsterpaullone 2-cyanoethyl | C19H14N4O3

alsterpaullone 2-cyanoethyl

  • Molecular FormulaC19H14N4O3
  • Average mass346.340 Da
  • Monoisotopic mass346.106598 Da
  • ChemSpider ID21396098

More details:

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

3-(9-Nitro-6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepin-2-yl)propanenitrile [ACD/IUPAC Name]
3-(9-Nitro-6-oxo-5,6,7,12-tétrahydroindolo[3,2-d][1]benzazépin-2-yl)propanenitrile [French] [ACD/IUPAC Name]
3-(9-Nitro-6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepin-2-yl)propannitril [German] [ACD/IUPAC Name]
alsterpaullone 2-cyanoethyl
Indolo[3,2-d][1]benzazepine-2-propanenitrile, 5,6,7,12-tetrahydro-9-nitro-6-oxo- [ACD/Index Name]
3-(6-Oxo-9-nitro-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepin-2-yl)propionitrile
3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile
3-{14-nitro-9-oxo-8,18-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12,14,16-heptaen-4-yl}propanenitrile
852527-97-0 [RN]
Alsterpaullone, 2-Cyanoethyl
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 747.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.707
Molar Refractivity: 94.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.25
ACD/KOC (pH 5.5): 955.23
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.27
ACD/KOC (pH 7.4): 955.40
Polar Surface Area: 115 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 72.1±3.0 dyne/cm
Molar Volume: 243.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement