ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-2-butanamine | C12H13F6N

1-[3,5-Bis(trifluoromethyl)phenyl]-2-butanamine

  • Molecular FormulaC12H13F6N
  • Average mass285.229 Da
  • Monoisotopic mass285.095215 Da
  • ChemSpider ID26493147

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-2-butanamin [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-2-butanamine [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-2-butanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-3,5-bis(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 223.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 96.2±16.6 °C
Index of Refraction: 1.430
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 1.88
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 26 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 24.6±3.0 dyne/cm
Molar Volume: 226.3±3.0 cm3

Click to predict properties on the Chemicalize site


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