ChemSpider 2D Image | (2S)-1-{4-[(1S)-1-Hydroxy-2-methoxyethyl]phenoxy}-3-(isopropylamino)-2-propanol | C15H25NO4

(2S)-1-{4-[(1S)-1-Hydroxy-2-methoxyethyl]phenoxy}-3-(isopropylamino)-2-propanol

  • Molecular FormulaC15H25NO4
  • Average mass283.363 Da
  • Monoisotopic mass283.178345 Da
  • ChemSpider ID34989538

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-1-{4-[(1S)-1-Hydroxy-2-methoxyethyl]phenoxy}-3-(isopropylamino)-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-{4-[(1S)-1-Hydroxy-2-methoxyethyl]phenoxy}-3-(isopropylamino)-2-propanol [ACD/IUPAC Name]
(2S)-1-{4-[(1S)-1-Hydroxy-2-méthoxyéthyl]phénoxy}-3-(isopropylamino)-2-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(2S)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-α-(methoxymethyl)-, (αS)- [ACD/Index Name]
56392-16-6 [RN]
UNII-C19D0413EL
α-HYDROXYMETOPROLOL

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 218.4±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 78.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 257.0±3.0 cm3

Click to predict properties on the Chemicalize site


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