ChemSpider 2D Image | hepronicate | C28H31N3O6

hepronicate

  • Molecular FormulaC28H31N3O6
  • Average mass505.562 Da
  • Monoisotopic mass505.221283 Da
  • ChemSpider ID3462

More details:

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

1,1,1-(Trihydroxymethyl)heptane Trinicotinate
1,1,1-Trimethylolheptane Trinicotinate
2,2-Bis{[(3-pyridinylcarbonyl)oxy]methyl}octyl nicotinate [ACD/IUPAC Name]
2,2-Bis{[(3-pyridinylcarbonyl)oxy]methyl}octyl-nicotinat [German] [ACD/IUPAC Name]
2,2-Bis{[(pyridin-3-ylcarbonyl)oxy]methyl}octyl nicotinate
2,2-Dihydroxymethyl-n-octanol Trinicotinate
3-Pyridinecarboxylic Acid 2-Hexyl-2-[[(3-pyridinylcarbonyl)oxy]methyl]-1,3-propanediyl Ester
3-pyridinecarboxylic acid, 2,2-bis[[(3-pyridinylcarbonyl)oxy]methyl]octyl ester
7237-81-2 [RN]
hepronicate [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2733 [DBID]
E4RK86FAVR [DBID]
BRN 0504308 [DBID]
CLY 115 [DBID]
D01882 [DBID]
UNII:E4RK86FAVR [DBID]
UNII-E4RK86FAVR [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 661.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±3.0 kJ/mol
    Flash Point: 353.7±31.5 °C
    Index of Refraction: 1.564
    Molar Refractivity: 136.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 6.09
    ACD/LogD (pH 5.5): 5.76
    ACD/BCF (pH 5.5): 13969.13
    ACD/KOC (pH 5.5): 32153.37
    ACD/LogD (pH 7.4): 5.76
    ACD/BCF (pH 7.4): 14134.76
    ACD/KOC (pH 7.4): 32534.62
    Polar Surface Area: 118 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 52.0±3.0 dyne/cm
    Molar Volume: 420.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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