ChemSpider 2D Image | 3,3,6,10,10,13-Hexamethyl-6,13-bis(2-quinoxalinylmethoxy)-1,4,8,11-tetraazacyclotetradecane-5,12-dione | C34H44N8O4

3,3,6,10,10,13-Hexamethyl-6,13-bis(2-quinoxalinylmethoxy)-1,4,8,11-tetraazacyclotetradecane-5,12-dione

  • Molecular FormulaC34H44N8O4
  • Average mass628.764 Da
  • Monoisotopic mass628.348572 Da
  • ChemSpider ID4411106

More details:

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

1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(2-quinoxalinylmethoxy)- [ACD/Index Name]
3,3,6,10,10,13-Hexamethyl-6,13-bis(2-quinoxalinylmethoxy)-1,4,8,11-tetraazacyclotetradecane-5,12-dione [ACD/IUPAC Name]
3,3,6,10,10,13-Hexaméthyl-6,13-bis(2-quinoxalinylméthoxy)-1,4,8,11-tétraazacyclotétradécane-5,12-dione [French] [ACD/IUPAC Name]
6,13-Bis(2-chinoxalinylmethoxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradecan-5,12-dion [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 807.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.4±3.0 kJ/mol
Flash Point: 442.4±34.3 °C
Index of Refraction: 1.632
Molar Refractivity: 177.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -1.39
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): 2.45
ACD/KOC (pH 7.4): 26.89
Polar Surface Area: 152 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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