ChemSpider 2D Image | 3-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}propanoic acid | C15H23NO4

3-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}propanoic acid

  • Molecular FormulaC15H23NO4
  • Average mass281.347 Da
  • Monoisotopic mass281.162720 Da
  • ChemSpider ID29789719

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}propanoic acid [ACD/IUPAC Name]
3-{4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]phényl}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ACD/Index Name]
(R)-Esmolol acid
?R?-Esmolol Acid
3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
4-[(2R)-2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenepropanoic acid
81148-15-4 [RN]
910651-37-5 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 486.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.8±27.3 °C
Index of Refraction: 1.535
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

Click to predict properties on the Chemicalize site


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