ChemSpider 2D Image | 4-{Ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate | C25H35NO5

4-{Ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate

  • Molecular FormulaC25H35NO5
  • Average mass429.549 Da
  • Monoisotopic mass429.251526 Da
  • ChemSpider ID34987189

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3,4-Diméthoxybenzoate de 4-{éthyl[(2R)-1-(4-méthoxyphényl)-2-propanyl]amino}butyle [French] [ACD/IUPAC Name]
4-{Ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate [ACD/IUPAC Name]
4-{Ethyl[(2R)-1-(4-methoxyphenyl)-2-propanyl]amino}butyl-3,4-dimethoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,4-dimethoxy-, 4-[ethyl[(1R)-2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester [ACD/Index Name]
222-830-4 [EINECS]
3625-06-7 [RN]
Mebeverine [USAN] [Wiki]
UNII-7F80CC3NNV

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±30.1 °C
Index of Refraction: 1.529
Molar Refractivity: 123.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 4.72
ACD/KOC (pH 5.5): 14.36
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 44.96
ACD/KOC (pH 7.4): 136.83
Polar Surface Area: 57 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 399.7±3.0 cm3

Click to predict properties on the Chemicalize site


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