ChemSpider 2D Image | (S)-orciprenaline | C11H17NO3

(S)-orciprenaline

  • Molecular FormulaC11H17NO3
  • Average mass211.258 Da
  • Monoisotopic mass211.120850 Da
  • ChemSpider ID32809547
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-orciprenaline
1,3-Benzenediol, 5-[(1S)-1-hydroxy-2-[(1-methylethyl)amino]ethyl]- [ACD/Index Name]
5-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-1,3-benzenediol [ACD/IUPAC Name]
5-[(1S)-1-Hydroxy-2-(isopropylamino)éthyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
155418-87-4 [RN]
209-569-1 [EINECS]
5-[(1S)-1-hydroxy-2-(isopropylamino)ethyl]benzene-1,3-diol
5-{(1S)-1-Hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol
586-06-1 [RN]
More...
  • Miscellaneous
    • Chemical Class:

      A 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol that is the (<stereo>S</stereo>)-enantiomer of orciprenaline. ChEBI CHEBI:83331

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

Density: 1.2±0.1 g/cm3
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: 1.579
Molar Refractivity: 58.6±0.3 cm3
#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: 73 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 176.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement