ChemSpider 2D Image | 4-[(1R)-1-Hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl]phenol | C18H23NO3

4-[(1R)-1-Hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl]phenol

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID32809838

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(1R)-1-Hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl]phenol [German] [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl]phenol [ACD/IUPAC Name]
4-[(1R)-1-Hydroxy-2-{[(2S)-4-(4-hydroxyphényl)-2-butanyl]amino}éthyl]phénol [French] [ACD/IUPAC Name]
4-[(1R)-1-hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol
Benzenemethanol, 4-hydroxy-α-[[[(1S)-3-(4-hydroxyphenyl)-1-methylpropyl]amino]methyl]-, (αR)- [ACD/Index Name]
97825-25-7 [RN]
Ractopamine [INN] [Wiki]
UNII-57370OZ3P1
  • Miscellaneous

    • Chemical Class:

      A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which the carbon bearing the hydroxy group has <stereo>R</stereo> configuration while the remaining stereocentre has <stereo>S</s tereo> configuration. ChEBI CHEBI:82653
      A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which the carbon bearing the hydroxy group has R configuration while the remaining stereocentre has S configuration. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82653, CHEBI:82653

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 165.3±20.7 °C
Index of Refraction: 1.609
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 73 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

Click to predict properties on the Chemicalize site


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