Found 1 result

Search term: NDGQNHQZSMXHET-SECBINFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-[(2S)-2-Amino-1-hydroxy-2-propanyl]phenol | C9H13NO2

3-[(2S)-2-Amino-1-hydroxy-2-propanyl]phenol

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID110699199

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2S)-2-Amino-1-hydroxy-2-propanyl]phenol [German] [ACD/IUPAC Name]
3-[(2S)-2-Amino-1-hydroxy-2-propanyl]phenol [ACD/IUPAC Name]
3-[(2S)-2-Amino-1-hydroxy-2-propanyl]phénol [French] [ACD/IUPAC Name]
Benzeneethanol, β-amino-3-hydroxy-β-methyl-, (βS)- [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: 363.9±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 173.9±23.7 °C
Index of Refraction: 1.590
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.03
ACD/LogD (pH 5.5): -2.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 139.2±3.0 cm3

Click to predict properties on the Chemicalize site


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