ChemSpider 2D Image | 3-(3-Fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}-1-propanamine | C18H20FN5

3-(3-Fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}-1-propanamine

  • Molecular FormulaC18H20FN5
  • Average mass325.383 Da
  • Monoisotopic mass325.170288 Da
  • ChemSpider ID35035414

More details:






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

3-(3-Fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}-1-propanamine [ACD/IUPAC Name]
3-(3-Fluorophényl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]éthyl}-1-propanamine [French] [ACD/IUPAC Name]
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
3-(3-Fluorphenyl)-N-{2-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]ethyl}-1-propanamin [German] [ACD/IUPAC Name]
4-Pyrimidineethanamine, N-[3-(3-fluorophenyl)propyl]-2-(1H-imidazol-1-yl)- [ACD/Index Name]
4E8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 542.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.8±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.96
Polar Surface Area: 56 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 269.3±7.0 cm3

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