ChemSpider 2D Image | 1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.1~6,10~.1~20,24~.1~33,37~]tetratetraconta-6(44),7,9,20(43),21,23,33(42),34,36-nonaene | C36H54N8

1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20(43),21,23,33(42),34,36-nonaene

  • Molecular FormulaC36H54N8
  • Average mass598.868 Da
  • Monoisotopic mass598.447144 Da
  • ChemSpider ID4908400

More details:

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

1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20(43),21,23,33(42),34,36-nonaen [German] [ACD/IUPAC Name]
1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20(43),21,23,33(42),34,36-nonaene [ACD/IUPAC Name]
1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tétratétraconta-6(44),7,9,20(43),21,23,33(42),34,36-nonaène [French] [ACD/IUPAC Name]
1,4,12,15,18,26,31,39-Octaazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6,8,10(44),20,22,24(43),33,35,37(42)-nonaene [ACD/Index Name]
1,4,12,15,18,26,31,39-octazapentacyclo[13.13.13.16,10.120,24.133,37]tetratetraconta-6(44),7,9,20,22,24(43),33(42),34,36-nonaene
135469-17-9 [RN]
Octaaminocryptand 1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 793.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 466.1±26.2 °C
Index of Refraction: 1.631
Molar Refractivity: 185.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.54
ACD/LogD (pH 5.5): -5.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 73.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 519.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement