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Caffeine Citrate, Mikromol™
Description
Caffeine Citrate
Specifications
Specifications
| Chemical Name or Material | Caffeine Citrate |
| CAS | 69-22-7 |
| Analyte or Component Names | Caffeine Citrate |
| Shipping Condition | Room Temperature |
| Molecular Formula | C8 H10 N4 O2 . C6 H8 O7 |
| Certifications/Compliance | ISO 17034 |
| Synonym | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, Caffeine Citrate, Caffeine citrate (6CI), Caffeine, citrate (1:1) (7CI,8CI), 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, mixt. contg. (9CI), Citrated caffeine |
| InChI Formula | 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) |
| SMILES | CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)CC(O)(CC(=O)O)C(=O)O |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione |
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