ChemSpider 2D Image | 4-{[Isopropyl(4-pentylbenzoyl)amino]methyl}phenyl methanesulfonate | C23H31NO4S

4-{[Isopropyl(4-pentylbenzoyl)amino]methyl}phenyl methanesulfonate

  • Molecular FormulaC23H31NO4S
  • Average mass417.561 Da
  • Monoisotopic mass417.197388 Da
  • ChemSpider ID22572632

More details:

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

4-{[Isopropyl(4-pentylbenzoyl)amino]methyl}phenyl methanesulfonate [ACD/IUPAC Name]
4-{[Isopropyl(4-pentylbenzoyl)amino]methyl}phenyl-methansulfonat [German] [ACD/IUPAC Name]
Benzamide, N-(1-methylethyl)-N-[[4-[(methylsulfonyl)oxy]phenyl]methyl]-4-pentyl- [ACD/Index Name]
Méthanesulfonate de 4-{[isopropyl(4-pentylbenzoyl)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: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 116.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.71
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3891.59
ACD/KOC (pH 5.5): 12924.31
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3891.59
ACD/KOC (pH 7.4): 12924.31
Polar Surface Area: 72 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 366.2±3.0 cm3

Click to predict properties on the Chemicalize site


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