ChemSpider 2D Image | (2S)-1-(4-Fluorophenyl)-2-butanamine | C10H14FN

(2S)-1-(4-Fluorophenyl)-2-butanamine

  • Molecular FormulaC10H14FN
  • Average mass167.223 Da
  • Monoisotopic mass167.111023 Da
  • ChemSpider ID48225931

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-(4-Fluorophenyl)-2-butanamine [ACD/IUPAC Name]
(2S)-1-(4-Fluorophényl)-2-butanamine [French] [ACD/IUPAC Name]
(2S)-1-(4-Fluorphenyl)-2-butanamin [German] [ACD/IUPAC Name]
Benzeneethanamine, α-ethyl-4-fluoro-, (αS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 234.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.1±3.0 kJ/mol
Flash Point: 106.0±8.3 °C
Index of Refraction: 1.506
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.41
Polar Surface Area: 26 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 163.5±3.0 cm3

Click to predict properties on the Chemicalize site


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