ChemSpider 2D Image | 3-[(2S,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenol | C14H23NO

3-[(2S,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenol

  • Molecular FormulaC14H23NO
  • Average mass221.339 Da
  • Monoisotopic mass221.177963 Da
  • ChemSpider ID75252271

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(2S,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenol [German] [ACD/IUPAC Name]
3-[(2S,3R)-1-(Dimethylamino)-2-methyl-3-pentanyl]phenol [ACD/IUPAC Name]
3-[(2S,3R)-1-(Diméthylamino)-2-méthyl-3-pentanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[(1R,2S)-3-(dimethylamino)-1-ethyl-2-methylpropyl]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 323.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 134.2±21.8 °C
Index of Refraction: 1.518
Molar Refractivity: 69.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.28
Polar Surface Area: 23 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 228.1±3.0 cm3

Click to predict properties on the Chemicalize site


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