ChemSpider 2D Image | Ethyl 4-{bis[(2R)-2-hydroxypropyl]amino}benzoate | C15H23NO4

Ethyl 4-{bis[(2R)-2-hydroxypropyl]amino}benzoate

  • Molecular FormulaC15H23NO4
  • Average mass281.347 Da
  • Monoisotopic mass281.162720 Da
  • ChemSpider ID32796770

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{Bis[(2R)-2-hydroxypropyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[bis[(2R)-2-hydroxypropyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{bis[(2R)-2-hydroxypropyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{bis[(2R)-2-hydroxypropyl]amino}benzoat [German] [ACD/IUPAC Name]
261-482-8 [EINECS]
58882-17-0 [RN]
Roxadimate [INN] [USAN]
UNII-54M9O25201

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 225.9±27.3 °C
Index of Refraction: 1.558
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.67
ACD/KOC (pH 5.5): 226.24
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.67
ACD/KOC (pH 7.4): 226.28
Polar Surface Area: 70 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 243.6±3.0 cm3

Click to predict properties on the Chemicalize site


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