ChemSpider 2D Image | 2-(7-Methoxy-1,3-benzodioxol-4-yl)ethanamine | C10H13NO3

2-(7-Methoxy-1,3-benzodioxol-4-yl)ethanamine

  • Molecular FormulaC10H13NO3
  • Average mass195.215 Da
  • Monoisotopic mass195.089539 Da
  • ChemSpider ID60754117

More details:






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

1,3-Benzodioxole-4-ethanamine, 7-methoxy- [ACD/Index Name]
2-(7-Methoxy-1,3-benzodioxol-4-yl)ethanamin [German] [ACD/IUPAC Name]
2-(7-Methoxy-1,3-benzodioxol-4-yl)ethanamine [ACD/IUPAC Name]
2-(7-Méthoxy-1,3-benzodioxol-4-yl)éthanamine [French] [ACD/IUPAC Name]
104958-31-8 [RN]
MFCD20694576

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

Density: 1.2±0.1 g/cm3
Boiling Point: 314.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.6±3.0 kJ/mol
Flash Point: 157.6±18.2 °C
Index of Refraction: 1.561
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site






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