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ChemSpider 2D Image | 2-Amino-1-(1,3-benzodioxol-5-yl)-1-propanol | C10H13NO3


  • Molecular FormulaC10H13NO3
  • Average mass195.215 Da
  • Monoisotopic mass195.089539 Da
  • ChemSpider ID15260681

More details:

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

1,3-Benzodioxole-5-methanol, α-(1-aminoethyl)- [ACD/Index Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-propanol [German] [ACD/IUPAC Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-propanol [ACD/IUPAC Name]
2-Amino-1-(1,3-benzodioxol-5-yl)-1-propanol [French] [ACD/IUPAC Name]
1379448-76-6 [RN]
1821803-46-6 [RN]
215361-60-7 [RN]

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

Density: 1.3±0.0 g/cm3
Boiling Point: 372.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 65.4±0.0 kJ/mol
Flash Point: 179.0±0.0 °C
Index of Refraction: 1.593
Molar Refractivity: 51.6±0.0 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 20.5±0.0 10-24cm3
Surface Tension: 58.4±0.0 dyne/cm
Molar Volume: 152.2±0.0 cm3

Click to predict properties on the Chemicalize site