ChemSpider 2D Image | 3-[(Isopropyl{3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl}amino)methyl]phenyl hexylcarbamate | C33H40N2O5

3-[(Isopropyl{3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl}amino)methyl]phenyl hexylcarbamate

  • Molecular FormulaC33H40N2O5
  • Average mass544.681 Da
  • Monoisotopic mass544.293701 Da
  • ChemSpider ID24662709

More details:

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

3-[(Isopropyl{3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl}amino)methyl]phenyl hexylcarbamate [ACD/IUPAC Name]
3-[(Isopropyl{3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl}amino)methyl]phenyl-hexylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-hexyl-, 3-[[(1-methylethyl)[3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl]amino]methyl]phenyl ester [ACD/Index Name]
Hexylcarbamate de 3-[(isopropyl{3-[(9-oxo-9H-xanthén-3-yl)oxy]propyl}amino)méthyl]phényle [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: 661.4±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: 353.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 156.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 522.59
ACD/KOC (pH 5.5): 583.65
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 26012.10
ACD/KOC (pH 7.4): 29051.54
Polar Surface Area: 77 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 474.0±3.0 cm3

Click to predict properties on the Chemicalize site


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