ChemSpider 2D Image | 5-(2-Aminopropyl)-1,2,3-benzenetriol | C9H13NO3

5-(2-Aminopropyl)-1,2,3-benzenetriol

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID26495032

More details:






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

1,2,3-Benzenetriol, 5-(2-aminopropyl)- [ACD/Index Name]
5-(2-Aminopropyl)-1,2,3-benzenetriol [ACD/IUPAC Name]
5-(2-Aminopropyl)-1,2,3-benzènetriol [French] [ACD/IUPAC Name]
5-(2-Aminopropyl)-1,2,3-benzoltriol [German] [ACD/IUPAC Name]
91240-37-8 [RN]
MFCD08452668

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 407.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 199.9±27.3 °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: -0.12
ACD/LogD (pH 5.5): -2.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
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

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