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Flupirtine Chemical ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate
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Density 1.35g/cm3
Boiling point 434.9 º C at 760mmHg
Melting point 115-116 º C
Molecular formula C15H17FN4O2
Molecular weight 304.31900
Flash point 216.8 º C
Accurate quality 304.13400
PSA 89.27000
LogP 3.71060
Refractive index 1.661
Stability
A 5% ethanol solution is colorless, but turns green after 20 hours of exposure to air. Flupirtine Hydrochloride: C15 H17FN4O2.HCl. Crystallization from water, melting point 214-215 ℃.
Flupirine Maleic acid: C15H17FN4O2.C4H4O4. [75507-68-5]. Colorless crystal obtained from isopropanol, with a melting point of 175.5~176 ℃. Is a mixture of crystals A and B; It is best to contain 60% -90% A.
Molecular structure
1. Molar refractive index: 83.32
2. Molar volume (cm3/mol): 225.2
3. Isometric volume (90.2K): 628.6
4. Surface tension (dyne/cm): 60.6
5. Polarization rate (10-24cm3): 33.03
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond receptors: 6
4. Number of rotatable Chemical bond: 6
5. Number of Tautomer: 12
6. Topological molecule Polar surface area 89.3
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 350
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 0
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereostructural centers: 0
15. Number of Covalent bond units: 1
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