ChemSpider 2D Image | 4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate | C17H27NO4

4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate

  • Molecular FormulaC17H27NO4
  • Average mass309.401 Da
  • Monoisotopic mass309.194000 Da
  • ChemSpider ID32809548
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl acetate [ACD/IUPAC Name]
4-[(2R)-2-Hydroxy-3-(isopropylamino)propoxy]-2,3,6-trimethylphenyl-acetat [German] [ACD/IUPAC Name]
52849-56-6 [RN]
Acétate de 4-[(2R)-2-hydroxy-3-(isopropylamino)propoxy]-2,3,6-triméthylphényle [French] [ACD/IUPAC Name]
Phenol, 4-[(2R)-2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2,3,6-trimethyl-, 1-acetate [ACD/Index Name]
22664-55-7 [RN]
245-151-5 [EINECS]
METIPRANOLOL [USAN] [Wiki]
UNII-X39AL81KEB

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.2±28.7 °C
Index of Refraction: 1.513
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 68 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 289.5±3.0 cm3

Click to predict properties on the Chemicalize site






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