Caffeine (trimethyl-13C3)
Synonym(s):1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)
- CAS NO.：78072-66-9
- Empirical Formula: C8H12N4O2
- Molecular Weight: 199.23
- MDL number: MFCD00143899
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:55:12
What is Caffeine (trimethyl-13C3)?
The Uses of Caffeine (trimethyl-13C3)
Caffeine-13C3 is a labelled analogue of Caffeine (C080100), a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses.A study at Johns Hopkins University indicates that caffeine can improve pattern separation memory.
Definition
ChEBI: Caffeine-trimethyl-13C3 is an oxopurine.
Properties of Caffeine (trimethyl-13C3)
| Melting point: | 234-236.5 °C(lit.) |
| Flash point: | 11 °C |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated) |
| form | Solid |
| color | White to Off-White |
| EPA Substance Registry System | 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)- (78072-66-9) |
Safety information for Caffeine (trimethyl-13C3)
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
Computed Descriptors for Caffeine (trimethyl-13C3)
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