Caffeine EP Impurity E Hydrochloride (Caffeidine Hydrochloride)
- CAS
- 107605-95-8
- Formula
- C7H13ClN4O
- MW
- 204.66 g/mol
ZX-028406
Stable Isotope Labelled Standards (Deuterated, 13C, 15N)
Caffeine-Trimethyl-13C3
Reference StandardAvailable on request
Caffeine-Trimethyl-13C3 (CAS 78072-66-9) supplier Zemixal: C8H10N4O2, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-028407.
CAS number78072-66-9
FormulaC8H10N4O2
Molar mass197.17 g/mol
Physical formSolid
HS code38229090
InChIKeyRYYVLZVUVIJVGH-VMIGTVKRSA-N
IUPAC name1,3,7-tri((113C)methyl)purine-2,6-dione
About Caffeine-Trimethyl-13C3
Analytical teams working on Caffeine use Caffeine-Trimethyl-13C3 as a qualified comparison standard. Identity at a glance (Reference Standard): CAS 78072-66-9, formula C8H10N4O2 and molar mass 197.17 g/mol. It is handled as a solid.
Where it is used
- LC-MS/MS internal standard
- Bioanalytical quantitation
- Pharmacokinetic studies
Storage and safety notes
Hazard communication follows GHS (Warning: H302). Our SDS lists exposure controls and first-aid measures.
Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. Each lot travels with a certificate of analysis with characterisation data. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.
Reference standards for Caffeine
See every impurity, metabolite and related compound we list for this API.
Caffeine standardsTypical uses
- LC-MS/MS internal standard
- Bioanalytical quantitation
- Pharmacokinetic studies
Applications
Grade guides
Specifications and identifiers
| Product name | Caffeine-Trimethyl-13C3 |
|---|---|
| Catalogue number | ZX-028407 |
| CAS number | 78072-66-9 |
| IUPAC name | 1,3,7-tri((113C)methyl)purine-2,6-dione |
| Molecular formula | C8H10N4O2 |
| Molar mass | 197.17 g/mol |
| Exact mass | 197.0904 |
| Grade | Reference Standard |
| Physical form | Solid |
| XLogP3 | -0.1 |
| H-bond donors / acceptors | 0 / 3 |
| Topological polar surface area | 58.4 Ų |
| HS code | 38229090 |
| InChIKey | RYYVLZVUVIJVGH-VMIGTVKRSA-N |
| SMILES | [13CH3]N1C=NC2=C1C(=O)N(C(=O)N2[13CH3])[13CH3] |
| PubChem CID | 10241810 |
| Synonyms | Caffeine-13C3, 1,3,7-Tris((13C)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(13C)methyl]-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)-, 1,3,7-Tris[(~13~C)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H302Harmful if swallowed
Precautionary statements P264, P270, P301 + P317, P330, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 10 mg | Quoted on request | |
| 25 mg | Quoted on request | |
| 50 mg | Quoted on request | |
| 100 mg | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
Questions about Caffeine-Trimethyl-13C3
Which CAS number identifies Caffeine-Trimethyl-13C3?
Caffeine-Trimethyl-13C3 is registered under CAS 78072-66-9. You may also see it listed as Caffeine-13C3, 1,3,7-Tris((13C)methyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3,7-Tris[(13C)methyl]-3,7-dihydro-1H-purine-2,6-dione. Our catalogue number for this item is ZX-028407.
What are the formula and molar mass of Caffeine-Trimethyl-13C3?
For Caffeine-Trimethyl-13C3, its formula is C8H10N4O2 and its molar mass is 197.17 g/mol. The systematic (IUPAC) name is 1,3,7-tri((113C)methyl)purine-2,6-dione. InChIKey RYYVLZVUVIJVGH-VMIGTVKRSA-N lets you match it in any structure database.
How is Caffeine-Trimethyl-13C3 used in pharmaceutical QC?
Caffeine-Trimethyl-13C3 is a characterised reference material linked to Caffeine. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.
What grade and pack sizes are available for Caffeine-Trimethyl-13C3?
This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.
Which documents come with Caffeine-Trimethyl-13C3?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Caffeine-Trimethyl-13C3 to my country?
Yes. Because Caffeine-Trimethyl-13C3 is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.
More Caffeine standards
More in Stable Isotope Labelled Standards (Deuterated, 13C, 15N)
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