ChemSpider 2D Image | 1-(2,3,4-Trimethoxyphenyl)-2-butanamine | C13H21NO3

1-(2,3,4-Trimethoxyphenyl)-2-butanamine

  • Molecular FormulaC13H21NO3
  • Average mass239.311 Da
  • Monoisotopic mass239.152145 Da
  • ChemSpider ID33348558

More details:






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

1-(2,3,4-Trimethoxyphenyl)-2-butanamin [German] [ACD/IUPAC Name]
1-(2,3,4-Trimethoxyphenyl)-2-butanamine [ACD/IUPAC Name]
1-(2,3,4-Triméthoxyphényl)-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-2,3,4-trimethoxy- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 327.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 148.7±20.2 °C
Index of Refraction: 1.505
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.78
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): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.24
Polar Surface Area: 54 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 34.3±3.0 dyne/cm
Molar Volume: 231.3±3.0 cm3

Click to predict properties on the Chemicalize site






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