ChemSpider 2D Image | 4-[(1S,2S)-2-Amino-1-hydroxybutyl]-1,2-benzenediol | C10H15NO3

4-[(1S,2S)-2-Amino-1-hydroxybutyl]-1,2-benzenediol

  • Molecular FormulaC10H15NO3
  • Average mass197.231 Da
  • Monoisotopic mass197.105194 Da
  • ChemSpider ID74989233

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1S,2S)-2-amino-1-hydroxybutyl]- [ACD/Index Name]
4-[(1S,2S)-2-Amino-1-hydroxybutyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(1S,2S)-2-Amino-1-hydroxybutyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(1S,2S)-2-Amino-1-hydroxybutyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 216.9±27.3 °C
Index of Refraction: 1.615
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.00
ACD/LogD (pH 5.5): -3.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 154.4±3.0 cm3

Click to predict properties on the Chemicalize site


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