ChemSpider 2D Image | 7-{2-[(3-Fluorobenzyl)amino]ethyl}-2-quinolinamine | C18H18FN3

7-{2-[(3-Fluorobenzyl)amino]ethyl}-2-quinolinamine

  • Molecular FormulaC18H18FN3
  • Average mass295.354 Da
  • Monoisotopic mass295.148468 Da
  • ChemSpider ID31105268

More details:






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

7-{2-[(3-Fluorbenzyl)amino]ethyl}-2-chinolinamin [German] [ACD/IUPAC Name]
7-{2-[(3-Fluorobenzyl)amino]éthyl}-2-quinoléinamine [French] [ACD/IUPAC Name]
7-{2-[(3-Fluorobenzyl)amino]ethyl}-2-quinolinamine [ACD/IUPAC Name]
7-{2-[(3-Fluorobenzyl)amino]ethyl}quinolin-2-Amine
7-Quinolineethanamine, 2-amino-N-[(3-fluorophenyl)methyl]- [ACD/Index Name]
10.1021/jm401838x
M7K

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

Density: 1.2±0.1 g/cm3
Boiling Point: 475.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.6±27.3 °C
Index of Refraction: 1.653
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 6.22
ACD/KOC (pH 7.4): 49.92
Polar Surface Area: 51 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site






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