ChemSpider 2D Image | 5-[(1S,2R)-2-Amino-1-hydroxypropyl]-2-methylphenol | C10H15NO2

5-[(1S,2R)-2-Amino-1-hydroxypropyl]-2-methylphenol

  • Molecular FormulaC10H15NO2
  • Average mass181.232 Da
  • Monoisotopic mass181.110275 Da
  • ChemSpider ID75234070

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-[(1S,2R)-2-Amino-1-hydroxypropyl]-2-methylphenol [German] [ACD/IUPAC Name]
5-[(1S,2R)-2-Amino-1-hydroxypropyl]-2-methylphenol [ACD/IUPAC Name]
5-[(1S,2R)-2-Amino-1-hydroxypropyl]-2-méthylphénol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1R)-1-aminoethyl]-3-hydroxy-4-methyl-, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 371.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 178.5±26.5 °C
Index of Refraction: 1.585
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 155.8±3.0 cm3

Click to predict properties on the Chemicalize site


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