ChemSpider 2D Image | 4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one | C36H36N2O5

4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

  • Molecular FormulaC36H36N2O5
  • Average mass576.681 Da
  • Monoisotopic mass576.262451 Da
  • ChemSpider ID2361671

More details:

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

1,3-Diazatricyclo[3.3.1.13,7]decan-6-one, 4,8,9,10-tetrakis(4-methoxyphenyl)- [ACD/Index Name]
4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-on [German] [ACD/IUPAC Name]
4,8,9,10-Tetrakis(4-methoxyphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one [ACD/IUPAC Name]
4,8,9,10-Tétrakis(4-méthoxyphényl)-1,3-diazatricyclo[3.3.1.13,7]décan-6-one [French] [ACD/IUPAC Name]
4,8,9,10-tetrakis(4-methoxyphenyl)-5,7-diazatricyclo[3.3.1.1<3,7>]decan-2-one

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

BAS 00436532 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.9±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 165.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6881.23
ACD/KOC (pH 5.5): 19373.52
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6957.83
ACD/KOC (pH 7.4): 19589.19
Polar Surface Area: 60 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 441.8±5.0 cm3

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