ChemSpider 2D Image | 1,4,7-Tritosyl-1,4,7-triazonane | C27H33N3O6S3

1,4,7-Tritosyl-1,4,7-triazonane

  • Molecular FormulaC27H33N3O6S3
  • Average mass591.762 Da
  • Monoisotopic mass591.153137 Da
  • ChemSpider ID490460

More details:

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

1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane
1,4,7-tris-(toluene-4-sulfonyl)-[1,4,7]triazonane
1,4,7-Tris[(4-methylphenyl)sulfonyl]-1,4,7-triazonan [German] [ACD/IUPAC Name]
1,4,7-Tris[(4-methylphenyl)sulfonyl]-1,4,7-triazonane [ACD/IUPAC Name]
1,4,7-Tris[(4-méthylphényl)sulfonyl]-1,4,7-triazonane [French] [ACD/IUPAC Name]
1,4,7-Tritosyl-1,4,7-triazonane
1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
52667-89-7 [RN]
Octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-triazonine
[52667-89-7] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BAS 00104299 [DBID]
CCRIS 4693 [DBID]
ZINC00639022 [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: 749.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.0±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2790.60
ACD/KOC (pH 5.5): 10186.50
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2790.60
ACD/KOC (pH 7.4): 10186.50
Polar Surface Area: 137 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

Click to predict properties on the Chemicalize site


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