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Search term: 61708605 (Found by CSID)
ChemSpider 2D Image | marinocyanin C | C27H29BrN2O3

marinocyanin C

  • Molecular FormulaC27H29BrN2O3
  • Average mass509.435 Da
  • Monoisotopic mass508.136139 Da
  • ChemSpider ID61708605

More details:

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

{2-[(2-Brom-1-oxo-5(1H)-phenazinyl)methyl]-5,5-dimethyl-1-cyclohexen-1-yl}methyl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
{2-[(2-Bromo-1-oxo-5(1H)-phenazinyl)methyl]-5,5-dimethyl-1-cyclohexen-1-yl}methyl 3-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, [2-[(2-bromo-1-oxo-5(1H)-phenazinyl)methyl]-5,5-dimethyl-1-cyclohexen-1-yl]methyl ester [ACD/Index Name]
3-Méthyl-2-buténoate de {2-[(2-bromo-1-oxo-5(1H)-phénazinyl)méthyl]-5,5-diméthyl-1-cyclohexén-1-yl}méthyle [French] [ACD/IUPAC Name]
marinocyanin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 313.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 134.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23353.04
ACD/KOC (pH 5.5): 46605.74
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23354.27
ACD/KOC (pH 7.4): 46608.20
Polar Surface Area: 59 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 383.8±7.0 cm3

Click to predict properties on the Chemicalize site


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