Mexiletine hydrochloride CAS5370-01-4

Details:

Density 0.979 g/cm3
Boiling point 271.5ºC at 760 mmHg
Melting point 200-203°C
Molecular formula C11H18ClNO
Molecular weight 215.720
Flash point 112.2ºC
Accurate mass 215.107697
PSA 35.25000
LogP 3.53170
Appearance properties white to off-white solid
Storage conditions 2-8°C
Aqueous ethanol: 50 mg/mL
Molecular structure
1. Molar refractive index: useless

2, molar volume (cm3/mol) : no use

3, equal volume (90.2K) : no use

4. Surface tension (dyne/cm) : unavailable

5. Dielectric constant: unavailable

6. Polarizability (10-24cm3) : unavailable

7. Single isotope mass: 215.107692Da

8. Nominal quality: 215Da

9. Average quality: 215.7197Da

Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) :

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond receptors: 2

4. Number of rotatable bonds: 3

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA) : 35.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 139

10. Number of isotope atoms: 0

11. Determine the number of atomic constitutive centers: 0

12. Number of uncertain atomic constitutive centers: 1

13. Determine the number of chemical bond structure centers: 0

14. Number of uncertain chemical bond structure centers: 0

15. Number of covalent bond units: 2

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