ChemSpider 2D Image | N-Benzyl-1-(3-fluorophenyl)-3-butyn-2-amine | C17H16FN

N-Benzyl-1-(3-fluorophenyl)-3-butyn-2-amine

  • Molecular FormulaC17H16FN
  • Average mass253.314 Da
  • Monoisotopic mass253.126678 Da
  • ChemSpider ID77003529

More details:

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

Benzeneethanamine, α-ethynyl-3-fluoro-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-1-(3-fluorophenyl)-3-butyn-2-amine [ACD/IUPAC Name]
N-Benzyl-1-(3-fluorophényl)-3-butyn-2-amine [French] [ACD/IUPAC Name]
N-Benzyl-1-(3-fluorphenyl)-3-butin-2-amin [German] [ACD/IUPAC Name]
2319581-34-3 [RN]
benzyl[1-(3-fluorophenyl)but-3-yn-2-yl]amine
MFCD32199293

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

Density: 1.1±0.1 g/cm3
Boiling Point: 380.6±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 184.0±25.1 °C
Index of Refraction: 1.572
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 41.54
ACD/KOC (pH 5.5): 257.16
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 388.27
ACD/KOC (pH 7.4): 2403.82
Polar Surface Area: 12 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


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