Thiamine nitrate CAS532-43-4

Details:

Melting point 196-200°C
Molecular formula C12H17N5O4S
Molecular weight 327.359
Accurate mass 327.100128
PSA 173.03000
LogP is 1.47300
Appearance properties white crystal powder
Storage condition
Store in a cool, dry and well-ventilated warehouse. Keep away from fire and heat. Keep out of direct sunlight. The package is sealed. It should be stored separately from acids and edible chemicals and should not be mixed. The storage area should be equipped with suitable materials to contain leaks.

stability
Use and storage according to specifications, will not occur decomposition, avoid contact with oxides

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :2

3. Number of hydrogen bond receptors :8

4. Number of rotatable bonds :4

5. Number of tautomers :3

6. Topological molecular polar surface area 167

7. Number of heavy atoms :22

8. Surface charge :0

9. Complexity :287

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

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

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :2

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