ChemSpider 2D Image | 4-{(~2~H_5_)Ethyl[1-(4-hydroxyphenyl)-2-propanyl]amino}butanoic acid | C15H18D5NO3

4-{(2H5)Ethyl[1-(4-hydroxyphenyl)-2-propanyl]amino}butanoic acid

  • Molecular FormulaC15H18D5NO3
  • Average mass270.379 Da
  • Monoisotopic mass270.199188 Da
  • ChemSpider ID38772362

  • Non-standard isotope - Non-standard isotope

More details:

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

4-{(2H5)Ethyl[1-(4-hydroxyphenyl)-2-propanyl]amino}butanoic acid [ACD/IUPAC Name]
4-{(2H5)Ethyl[1-(4-hydroxyphenyl)-2-propanyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{(2H5)éthyl[1-(4-hydroxyphényl)-2-propanyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[ethyl-d5[2-(4-hydroxyphenyl)-1-methylethyl]amino]- [ACD/Index Name]
1329488-46-1 [RN]
4-[1-(4-hydroxyphenyl)propan-2-yl-(1,1,2,2,2-pentadeuterioethyl)amino]butanoic acid
O-desmethyl Mebeverine acid D5
O-Desmethyl Mebeverine Acid-d5

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

Density: 1.1±0.1 g/cm3
Boiling Point: 445.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 223.4±25.9 °C
Index of Refraction: 1.545
Molar Refractivity: 75.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 61 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 238.5±3.0 cm3

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