ChemSpider 2D Image | 4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]phenol | C11H17NO2

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

  • Molecular FormulaC11H17NO2
  • Average mass195.258 Da
  • Monoisotopic mass195.125931 Da
  • ChemSpider ID32797599
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

29170-06-7 [RN]
4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]phenol [German] [ACD/IUPAC Name]
4-[(1S)-1-Hydroxy-2-(isopropylamino)ethyl]phenol [ACD/IUPAC Name]
4-[(1S)-1-Hydroxy-2-(isopropylamino)éthyl]phénol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-α-[[(1-methylethyl)amino]methyl]-, (αS)- [ACD/Index Name]
7376-66-1 [RN]
deterenol
UNII-BR971OUC9M

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

X65RGJ2077 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 355.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 143.0±14.3 °C
Index of Refraction: 1.551
Molar Refractivity: 56.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 52 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 177.6±3.0 cm3

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