ChemSpider 2D Image | 4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl 4-methylbenzoate | C21H27NO5

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl 4-methylbenzoate

  • Molecular FormulaC21H27NO5
  • Average mass373.443 Da
  • Monoisotopic mass373.188934 Da
  • ChemSpider ID25042510

More details:

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

4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl 4-methylbenzoate [ACD/IUPAC Name]
4-{[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}pentyl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de 4-{[2-(3,4-dihydroxyphényl)-2-hydroxyéthyl]amino}pentyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, 4-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]pentyl ester [ACD/Index 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: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 3.35
ACD/KOC (pH 7.4): 27.49
Polar Surface Area: 99 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

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