ChemSpider 2D Image | 5-[(2R)-2-Aminopropyl]-1,2,4-benzenetriol | C9H13NO3

5-[(2R)-2-Aminopropyl]-1,2,4-benzenetriol

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID57501544

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2,4-Benzenetriol, 5-[(2R)-2-aminopropyl]- [ACD/Index Name]
5-[(2R)-2-Aminopropyl]-1,2,4-benzenetriol [ACD/IUPAC Name]
5-[(2R)-2-Aminopropyl]-1,2,4-benzènetriol [French] [ACD/IUPAC Name]
5-[(2R)-2-Aminopropyl]-1,2,4-benzoltriol [German] [ACD/IUPAC Name]
2,4,5-trihydroxyamphetamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 399.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 195.4±19.3 °C
Index of Refraction: 1.637
Molar Refractivity: 49.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 138.1±3.0 cm3

Click to predict properties on the Chemicalize site


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