ChemSpider 2D Image | 4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-2-methoxyphenol | C12H19NO3

4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-2-methoxyphenol

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID34993351
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]-2-methoxyphenol [ACD/IUPAC Name]
4-[(1S)-1-Hydroxy-2-(isopropylamino)éthyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-3-methoxy-α-[[(1-methylethyl)amino]methyl]-, (αS)- [ACD/Index Name]
1212-03-9 [RN]
metiprenaline [INN]
UNII-1WBF92D66N

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 191.4±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): -2.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 62 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 201.6±3.0 cm3

Click to predict properties on the Chemicalize site






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