ChemSpider 2D Image | 8-Azatetracyclo[4.3.1.0~2,5~.0~3,7~]deca-1(9),3(7),4,6(10)-tetraene | C9H5N

8-Azatetracyclo[4.3.1.02,5.03,7]deca-1(9),3(7),4,6(10)-tetraene

  • Molecular FormulaC9H5N
  • Average mass127.143 Da
  • Monoisotopic mass127.042198 Da
  • ChemSpider ID23978225

More details:

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

3,5,7-Metheno-1H-cyclopenta[b]pyridine [ACD/Index Name]
8-Azatetracyclo[4.3.1.02,5.03,7]deca-1(9),3(7),4,6(10)-tetraen [German] [ACD/IUPAC Name]
8-Azatetracyclo[4.3.1.02,5.03,7]deca-1(9),3(7),4,6(10)-tetraene [ACD/IUPAC Name]
8-Azatétracyclo[4.3.1.02,5.03,7]déca-1(9),3(7),4,6(10)-tétraène [French] [ACD/IUPAC Name]
1H-3,5,7-(epimethanetriyl)cyclopenta[b]pyridine
3,5,7-Metheno-1H-cyclopenta[b]pyridine (9CI)
708278-09-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 384.0±18.1 °C
Index of Refraction: 1.866
Molar Refractivity: 37.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.80
Polar Surface Area: 12 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 83.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement