ChemSpider 2D Image | 1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-propanamine | C12H17NO2

1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-propanamine

  • Molecular FormulaC12H17NO2
  • Average mass207.269 Da
  • Monoisotopic mass207.125931 Da
  • ChemSpider ID26495446

More details:






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

1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-propanamin [German] [ACD/IUPAC Name]
1-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-propanamine [ACD/IUPAC Name]
1-(3,4-Dihydro-2H-1,5-benzodioxépin-7-yl)-2-propanamine [French] [ACD/IUPAC Name]
2H-1,5-Benzodioxepin-7-ethanamine, 3,4-dihydro-α-methyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 161.5±26.5 °C
Index of Refraction: 1.539
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): -1.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 189.5±3.0 cm3

Click to predict properties on the Chemicalize site






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