ChemSpider 2D Image | N-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluoro-2-butanamine | C12H20F3N3

N-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluoro-2-butanamine

  • Molecular FormulaC12H20F3N3
  • Average mass263.302 Da
  • Monoisotopic mass263.160919 Da
  • ChemSpider ID29632193

More details:

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

1H-Pyrazole-4-propanamine, 3,5-dimethyl-N-(3,3,3-trifluoro-1-methylpropyl)- [ACD/Index Name]
N-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluor-2-butanamin [German] [ACD/IUPAC Name]
N-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluoro-2-butanamine [ACD/IUPAC Name]
N-[3-(3,5-Diméthyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluoro-2-butanamine [French] [ACD/IUPAC Name]
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4,4,4-trifluorobutan-2-amine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 346.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.1±3.0 kJ/mol
Flash Point: 163.4±27.9 °C
Index of Refraction: 1.468
Molar Refractivity: 65.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 13.97
Polar Surface Area: 41 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 234.5±3.0 cm3

Click to predict properties on the Chemicalize site


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