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ChemSpider 2D Image | 1-[3,5-Dimethoxy-4-(pentyloxy)phenyl]-2-propanamine | C16H27NO3

1-[3,5-Dimethoxy-4-(pentyloxy)phenyl]-2-propanamine

  • Molecular FormulaC16H27NO3
  • Average mass281.391 Da
  • Monoisotopic mass281.199097 Da
  • ChemSpider ID38642119

More details:

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

1-[3,5-Dimethoxy-4-(pentyloxy)phenyl]-2-propanamin [German] [ACD/IUPAC Name]
1-[3,5-Dimethoxy-4-(pentyloxy)phenyl]-2-propanamine [ACD/IUPAC Name]
1-[3,5-Diméthoxy-4-(pentyloxy)phényl]-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 3,5-dimethoxy-α-methyl-4-(pentyloxy)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 382.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 179.4±20.2 °C
Index of Refraction: 1.499
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 8.99
Polar Surface Area: 54 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 280.8±3.0 cm3

Click to predict properties on the Chemicalize site


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