ChemSpider 2D Image | Trimethyl 3,3',3''-(1,3,5,2,4,6-trioxatriazinane-2,4,6-triyl)tripropanoate | C12H21N3O9

Trimethyl 3,3',3''-(1,3,5,2,4,6-trioxatriazinane-2,4,6-triyl)tripropanoate

  • Molecular FormulaC12H21N3O9
  • Average mass351.310 Da
  • Monoisotopic mass351.127777 Da
  • ChemSpider ID114989388

More details:

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

1,3,5,2,4,6-Trioxatriazine-2,4,6-tripropanoic acid, trimethyl ester [ACD/Index Name]
3,3',3''-(1,3,5,2,4,6-Trioxatriazinane-2,4,6-triyl)tripropanoate de triméthyle [French] [ACD/IUPAC Name]
Trimethyl 3,3',3''-(1,3,5,2,4,6-trioxatriazinane-2,4,6-triyl)tripropanoate [ACD/IUPAC Name]
Trimethyl-3,3',3''-(1,3,5,2,4,6-trioxatriazinan-2,4,6-triyl)tripropanoat [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: 369.3±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 177.1±30.7 °C
Index of Refraction: 1.469
Molar Refractivity: 76.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.94
Polar Surface Area: 116 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 275.0±3.0 cm3

Click to predict properties on the Chemicalize site


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