ChemSpider 2D Image | 2,14-Dimethyl-2,8,14,20,25,26,27,28-octaazapentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene | C22H20N8

2,14-Dimethyl-2,8,14,20,25,26,27,28-octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene

  • Molecular FormulaC22H20N8
  • Average mass396.448 Da
  • Monoisotopic mass396.181091 Da
  • ChemSpider ID30659086

More details:

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

2,14-Dimethyl-2,8,14,20,25,26,27,28-octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen [German] [ACD/IUPAC Name]
2,14-Dimethyl-2,8,14,20,25,26,27,28-octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene [ACD/IUPAC Name]
2,14-Diméthyl-2,8,14,20,25,26,27,28-octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodécaène [French] [ACD/IUPAC Name]
2,8,14,20,25,26,27,28-Octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene, 2,14-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 865.22
ACD/KOC (pH 5.5): 4377.00
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 884.94
ACD/KOC (pH 7.4): 4476.77
Polar Surface Area: 82 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 319.2±3.0 cm3

Click to predict properties on the Chemicalize site


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