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Search term: C48H69N3O6 (Found by molecular formula)

ChemSpider 2D Image | IRGANOX 3114 | C48H69N3O6

IRGANOX 3114

  • Molecular FormulaC48H69N3O6
  • Average mass784.078 Da
  • Monoisotopic mass783.518616 Da
  • ChemSpider ID84061

More details:






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

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]- [ACD/Index Name]
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione
1,3,5-Tris(3,5-di-tert-butyl-4-hydroxybenzyl)-s-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinan-2,4,6-trion [German] [ACD/IUPAC Name]
1,3,5-Tris[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione [ACD/IUPAC Name]
1,3,5-Tris[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)benzyl]-1,3,5-triazinane-2,4,6-trione [French] [ACD/IUPAC Name]
248-597-9 [EINECS]
27676-62-6 [RN]
IRGANOX 3114
MFCD00134700 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

680V3MP8YT [DBID]
UNII:680V3MP8YT [DBID]
UNII-680V3MP8YT [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 757.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 412.2±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 228.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 11.03
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.03
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 122 Å2
Polarizability: 90.5±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 699.5±3.0 cm3

Click to predict properties on the Chemicalize site






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