ChemSpider 2D Image | 3-Methyl-4-[(1S)-3-(methylamino)-1-phenylpropoxy]phenol | C17H21NO2

3-Methyl-4-[(1S)-3-(methylamino)-1-phenylpropoxy]phenol

  • Molecular FormulaC17H21NO2
  • Average mass271.354 Da
  • Monoisotopic mass271.157227 Da
  • ChemSpider ID78315514

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Methyl-4-[(1S)-3-(methylamino)-1-phenylpropoxy]phenol [German] [ACD/IUPAC Name]
3-Methyl-4-[(1S)-3-(methylamino)-1-phenylpropoxy]phenol [ACD/IUPAC Name]
3-Méthyl-4-[(1S)-3-(méthylamino)-1-phénylpropoxy]phénol [French] [ACD/IUPAC Name]
Phenol, 3-methyl-4-[(1S)-3-(methylamino)-1-phenylpropoxy]- [ACD/Index Name]
63106-93-4 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 438.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.46
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 41 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 247.9±3.0 cm3

Click to predict properties on the Chemicalize site


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