ChemSpider 2D Image | 4-[(2R)-1-Amino-2-propanyl]-1,2-benzenediol | C9H13NO2

4-[(2R)-1-Amino-2-propanyl]-1,2-benzenediol

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID75235008

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(1R)-2-amino-1-methylethyl]- [ACD/Index Name]
4-[(2R)-1-Amino-2-propanyl]-1,2-benzenediol [ACD/IUPAC Name]
4-[(2R)-1-Amino-2-propanyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(2R)-1-Amino-2-propanyl]-1,2-benzoldiol [German] [ACD/IUPAC 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: 330.1±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 153.4±23.7 °C
Index of Refraction: 1.597
Molar Refractivity: 47.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -2.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 140.0±3.0 cm3

Click to predict properties on the Chemicalize site


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