ChemSpider 2D Image | 16-Azapentacyclo[6.6.3.0~2,7~.0~9,14~.0~15,17~]heptadeca-2,4,6,9,11,13-hexaene | C16H13N

16-Azapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaene

  • Molecular FormulaC16H13N
  • Average mass219.281 Da
  • Monoisotopic mass219.104797 Da
  • ChemSpider ID23139803

More details:

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

16-Azapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaen [German] [ACD/IUPAC Name]
16-Azapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9,11,13-hexaene [ACD/IUPAC Name]
16-Azapentacyclo[6.6.3.02,7.09,14.015,17]heptadéca-2,4,6,9,11,13-hexaène [French] [ACD/IUPAC Name]
16-azapentacyclo[6.6.3.02,7.09,14.015,17]heptadeca-2,4,6,9(14),10,12-hexaene
CHEMBL45335
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaen-15-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 202.1±14.7 °C
Index of Refraction: 1.681
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.39
ACD/KOC (pH 5.5): 38.28
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 44.34
ACD/KOC (pH 7.4): 500.60
Polar Surface Area: 22 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 177.4±3.0 cm3

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