ChemSpider 2D Image | {4-[(2S)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}acetic acid | C14H21NO4

{4-[(2S)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}acetic acid

  • Molecular FormulaC14H21NO4
  • Average mass267.321 Da
  • Monoisotopic mass267.147064 Da
  • ChemSpider ID34995409

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{4-[(2S)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}acetic acid [ACD/IUPAC Name]
{4-[(2S)-2-Hydroxy-3-(isopropylamino)propoxy]phenyl}essigsäure [German] [ACD/IUPAC Name]
Acide {4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phényl}acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ACD/Index Name]
56392-14-4 [RN]
Metoprolol Acid
UNII-Y6I8U8OX8P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.3±27.3 °C
Index of Refraction: 1.539
Molar Refractivity: 72.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 230.5±3.0 cm3

Click to predict properties on the Chemicalize site


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