Caffeine Citrated
[CAS# 69-22-7]

Identification

• Name: Caffeine Citrated
• Synonyms: Citric Acid; 1,3,7-Trimethylpurine-2,6-Dione; Caffeine; Citric Acid; 1,2,3-Propanetricarboxylic Acid, 2-Hydroxy-, Mixt. With 3,7-Dihydro-1,3,7-Trimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₄H₁₈N₄O₉
• Molecular Weight: 386.32
• CAS Registry Number: 69-22-7
• SMILES: C2=NC1=C(C(N(C)C(N1C)=O)=O)[N]2C.C(C(CC(O)=O)(C(O)=O)O)C(O)=O
• InChI: 1S/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: RCQXSQPPHJPGOF-UHFFFAOYSA-N

Properties

• Boiling point: 416.8°C at 760 mmHg (Cal.)
• Flash point: 205.9°C (Cal.)

Safety Data

• Safety Description: Safety glasses.