ChemSpider 2D Image | 1-(4-Butoxyphenyl)-2-propanamine | C13H21NO

1-(4-Butoxyphenyl)-2-propanamine

  • Molecular FormulaC13H21NO
  • Average mass207.312 Da
  • Monoisotopic mass207.162308 Da
  • ChemSpider ID24690070

More details:

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

1-(4-Butoxyphenyl)-2-propanamin [German] [ACD/IUPAC Name]
1-(4-Butoxyphenyl)-2-propanamine [ACD/IUPAC Name]
1-(4-Butoxyphényl)-2-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, 4-butoxy-α-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL456012/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 309.4±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 131.6±14.2 °C
Index of Refraction: 1.508
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.94
Polar Surface Area: 35 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 216.3±3.0 cm3

Click to predict properties on the Chemicalize site


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