ChemSpider 2D Image | 3-[(Methyl{4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl}amino)methyl]phenyl heptylcarbamate | C33H40N2O5

3-[(Methyl{4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl}amino)methyl]phenyl heptylcarbamate

  • Molecular FormulaC33H40N2O5
  • Average mass544.681 Da
  • Monoisotopic mass544.293701 Da
  • ChemSpider ID9016289

More details:

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

3-[(Methyl{4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl}amino)methyl]phenyl heptylcarbamate [ACD/IUPAC Name]
3-[(Methyl{4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl}amino)methyl]phenyl-heptylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-heptyl-, 3-[[methyl[4-[(9-oxo-9H-xanthen-3-yl)oxy]butyl]amino]methyl]phenyl ester [ACD/Index Name]
Heptylcarbamate de 3-[(méthyl{4-[(9-oxo-9H-xanthén-3-yl)oxy]butyl}amino)méthyl]phényle [French] [ACD/IUPAC Name]
Heptyl-carbamic acid 3-({methyl-[4-(9-oxo-9H-xanthen-3-yloxy)-butyl]-amino}-methyl)-phenyl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 665.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.8±3.0 kJ/mol
Flash Point: 356.2±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 1378.14
ACD/KOC (pH 5.5): 1105.88
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 65423.45
ACD/KOC (pH 7.4): 52498.59
Polar Surface Area: 77 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 473.6±3.0 cm3

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