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laurotetanine chemistry 4H-Dibenzo[de,g]quinolin-9-ol,5,6,6a,7-tetrahydro-1,2,10-trimethoxy-, (6aS)-
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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Density 1.239g/cm3
Boiling point 524.4ºC at 760mmHg
Molecular formula C19H21NO4
Molecular weight 327.37400
Flash point 270.9ºC
Accurate mass 327.14700
PSA 59.95000
LogP 3.15670
Vapor pressure 1.3E-11mmHg at 25°C
Refractive index 1.605
Molecular structure
1. Molar refractive index: 91.09
2, molar volume (cm3/mol) : 264.2
3. Isotropic volume (90.2K) : 692.1
4. Surface tension (dyne/cm) : 47.0
5, polarization (10-24cm3) : 36.11
Computational chemistry
1. Reference value for calculating drainage parameters (XlogP) :2.6
2. Number of hydrogen bond donors :2
3. Number of hydrogen bond receptors :5
4. Number of rotatable bonds :3
5. Number of tautomers :9
6. Topological molecular polar surface area 60
7. Number of heavy atoms :24
8. Surface charge :0
9. Complexity :447
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of uncertain atomic orthotropic centers :1
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :1
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