ChemSpider 2D Image | 3-(2-Aminopropyl)-1,2-benzenediol | C9H13NO2

3-(2-Aminopropyl)-1,2-benzenediol

  • Molecular FormulaC9H13NO2
  • Average mass167.205 Da
  • Monoisotopic mass167.094635 Da
  • ChemSpider ID26495019

More details:






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

1,2-Benzenediol, 3-(2-aminopropyl)- [ACD/Index Name]
3-(2-Aminopropyl)-1,2-benzenediol [ACD/IUPAC Name]
3-(2-Aminopropyl)-1,2-benzènediol [French] [ACD/IUPAC Name]
3-(2-Aminopropyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
1336360-24-7 [RN]
1336738-97-6 [RN]
91240-15-2 [RN]
MFCD08452643

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 149.0±23.7 °C
Index of Refraction: 1.599
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): -1.96
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: 54.8±3.0 dyne/cm
Molar Volume: 139.7±3.0 cm3

Click to predict properties on the Chemicalize site






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