ChemSpider 2D Image | TU-100 | C20H13NO3

TU-100

  • Molecular FormulaC20H13NO3
  • Average mass315.322 Da
  • Monoisotopic mass315.089539 Da
  • ChemSpider ID32700482

More details:

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

1310907-71-1 [RN]
20-Methyl-20-azapentacyclo[10.7.1.02,11.04,9.013,18]icosa-2(11),4,6,8,13,15,17-heptaen-3,10,19-trion [German] [ACD/IUPAC Name]
20-Methyl-20-azapentacyclo[10.7.1.02,11.04,9.013,18]icosa-2(11),4,6,8,13,15,17-heptaene-3,10,19-trione [ACD/IUPAC Name]
20-Méthyl-20-azapentacyclo[10.7.1.02,11.04,9.013,18]icosa-2(11),4,6,8,13,15,17-heptaène-3,10,19-trione [French] [ACD/IUPAC Name]
5H-Benzo[4,5]cyclohepta[1,2-b]naphthalen-5,12-imine-6,11,13(12H)-trione, 14-methyl- [ACD/Index Name]
N3KQ8A1E0X
TU-100
UNII:N3KQ8A1E0X

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

Density: 1.5±0.1 g/cm3
Boiling Point: 524.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.4±22.5 °C
Index of Refraction: 1.731
Molar Refractivity: 86.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 709.48
ACD/KOC (pH 5.5): 3822.08
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 709.51
ACD/KOC (pH 7.4): 3822.22
Polar Surface Area: 54 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 215.4±5.0 cm3

Click to predict properties on the Chemicalize site


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