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ChemSpider 2D Image | N-[(2S)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]-2-propanaminium | C11H18NO3


  • Molecular FormulaC11H18NO3
  • Average mass212.265 Da
  • Monoisotopic mass212.128113 Da
  • ChemSpider ID34448752
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzenediol, 5-[(1S)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]-, conjugate acid [ACD/Index Name]
N-[(2S)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]-2-propanaminium [German] [ACD/IUPAC Name]
N-[(2S)-2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]-2-propanaminium [ACD/IUPAC Name]
N-[(2S)-2-(3,5-Dihydroxyphényl)-2-hydroxyéthyl]-2-propanaminium [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      An organic cation obtained by protonation of the secondary amino function of (S)-orciprenaline. ChEBI CHEBI:83338

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 417.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 179.7±17.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): -2.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site