ChemSpider 2D Image | 4-[(2S,3R)-2-Amino-3-hydroxytetradecyl]phenol | C20H35NO2

4-[(2S,3R)-2-Amino-3-hydroxytetradecyl]phenol

  • Molecular FormulaC20H35NO2
  • Average mass321.497 Da
  • Monoisotopic mass321.266785 Da
  • ChemSpider ID40256818

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-[(2S,3R)-2-Amino-3-hydroxytetradecyl]phenol [German] [ACD/IUPAC Name]
4-[(2S,3R)-2-Amino-3-hydroxytetradecyl]phenol [ACD/IUPAC Name]
4-[(2S,3R)-2-Amino-3-hydroxytétradécyl]phénol [French] [ACD/IUPAC Name]
Benzenepropanol, β-amino-4-hydroxy-α-undecyl-, (αR,βS)- [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: 488.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 249.0±24.6 °C
Index of Refraction: 1.525
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 8.88
ACD/KOC (pH 5.5): 22.07
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 33.49
ACD/KOC (pH 7.4): 83.27
Polar Surface Area: 66 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 320.7±3.0 cm3

Click to predict properties on the Chemicalize site


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