What Is Caffeine Anhydrous?

1S \ /C8H10N4O2.H2O \ / c1-10-4-9-6-5 (10) 7 (13) 12 (3) 8 (14) 11 (6) 2; \ / h4H, 1-3H3; 1H2

Caffeine (monohydrate)

1S \ /C8H10N4O2.H2O \ / c1-10-4-9-6-5 (10) 7 (13) 12 (3) 8 (14) 11 (6) 2; \ / h4H, 1-3H3; 1H2

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3,7-TRIMETHYL-, MONOHYDRATE (9CI);

CAFFEINE, MONOHYDRATE (8CI);

Use of caffeine (monohydrate) (5743-12-4): determination of antimony, bismuth, gold, palladium.

Preparation method of caffeine (monohydrate) (5743-12-4): cyanoacetic acid is obtained from chloroacetic acid through neutralization, cyanation, and acidification, and then condensed with urea to obtain cyanoacetyl urea, which is then cyclized, acidified, and nitrosated , Reduction, acylation, methylation to obtain caffeine. Impact: Generally not harmful to water. Do not discharge materials into the surrounding environment without government permission. Storage: Stable under normal temperature and pressure, protected from light at 2-8 ° C, in a cool and dry place, sealed and stored. Others: 1. Number of hydrogen bond donors: 1; 2. Number of hydrogen bond acceptors: 5; 3. Number of rotatable chemical bonds: 0; 4. Topological molecular polar surface area (TPSA): 59.4.