ChemSpider 2D Image | 3-[(1S,2S)-2-Amino-1-hydroxypropyl]phenol | C9H13NO2

3-[(1S,2S)-2-Amino-1-hydroxypropyl]phenol

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID21246383

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(1S,2S)-2-Amino-1-hydroxypropyl]phenol [ACD/IUPAC Name]
3-[(1S,2S)-2-Amino-1-hydroxypropyl]phenol [German] [ACD/IUPAC Name]
3-[(1S,2S)-2-Amino-1-hydroxypropyl]phénol [French] [ACD/IUPAC Name]
Benzenemethanol, α-[(1S)-1-aminoethyl]-3-hydroxy-, (αS)- [ACD/Index Name]
(1S,2R)-Metaraminol
21480-44-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 357.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 170.3±23.7 °C
Index of Refraction: 1.594
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 139.5±3.0 cm3

Click to predict properties on the Chemicalize site


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