ChemSpider 2D Image | 4-{[(2-Furylmethyl)(3,5,5-trimethylhexanoyl)amino]methyl}phenyl methanesulfonate | C22H31NO5S

4-{[(2-Furylmethyl)(3,5,5-trimethylhexanoyl)amino]methyl}phenyl methanesulfonate

  • Molecular FormulaC22H31NO5S
  • Average mass421.550 Da
  • Monoisotopic mass421.192291 Da
  • ChemSpider ID22572362

More details:

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

4-{[(2-Furylmethyl)(3,5,5-trimethylhexanoyl)amino]methyl}phenyl methanesulfonate [ACD/IUPAC Name]
4-{[(2-Furylmethyl)(3,5,5-trimethylhexanoyl)amino]methyl}phenyl-methansulfonat [German] [ACD/IUPAC Name]
Hexanamide, N-(2-furanylmethyl)-3,5,5-trimethyl-N-[[4-[(methylsulfonyl)oxy]phenyl]methyl]- [ACD/Index Name]
Méthanesulfonate de 4-{[(2-furylméthyl)(3,5,5-triméthylhexanoyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.1±30.1 °C
Index of Refraction: 1.539
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 716.34
ACD/KOC (pH 5.5): 3848.56
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 716.35
ACD/KOC (pH 7.4): 3848.56
Polar Surface Area: 85 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 364.1±3.0 cm3

Click to predict properties on the Chemicalize site


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