ChemSpider 2D Image | N-[11-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-2-undecanyl]-4-methylcyclohexanecarboxamide | C27H43N3O4

N-[11-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-2-undecanyl]-4-methylcyclohexanecarboxamide

  • Molecular FormulaC27H43N3O4
  • Average mass473.648 Da
  • Monoisotopic mass473.325348 Da
  • ChemSpider ID81423691

More details:

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

Cyclohexanecarboxamide, N-[10-amino-1-[[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]carbonyl]decyl]-4-methyl- [ACD/Index Name]
N-[11-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-2-undecanyl]-4-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
N-[11-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-2-undecanyl]-4-methylcyclohexanecarboxamide [ACD/IUPAC Name]
N-[11-Amino-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-2-undécanyl]-4-méthylcyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 686.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 135.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.27
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 7.11
Polar Surface Area: 103 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 425.5±3.0 cm3

Click to predict properties on the Chemicalize site


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