ChemSpider 2D Image | (+)-O-demethylmetoprolol | C14H23NO3

(+)-O-demethylmetoprolol

  • Molecular FormulaC14H23NO3
  • Average mass253.337 Da
  • Monoisotopic mass253.167801 Da
  • ChemSpider ID32698037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)-O-demethylmetoprolol
(2R)-1-[4-(2-Hydroxyethyl)phenoxy]-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-[4-(2-Hydroxyethyl)phenoxy]-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
(2R)-1-[4-(2-Hydroxyéthyl)phénoxy]-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
131564-70-0 [RN]
Benzeneethanol, 4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]- [ACD/Index Name]
(R)-O-Demethylmetoprolol
4-((2R)-2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneethanol
62572-94-5 [RN]
O-Demethylmetoprolol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6A1LL8OI12 [DBID]
UNII:6A1LL8OI12 [DBID]
UNII-6A1LL8OI12 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 210.6±27.3 °C
Index of Refraction: 1.531
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

Click to predict properties on the Chemicalize site


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