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485365

Sigma-Aldrich

Caffeine-(trimethyl-13C3)

99 atom % 13C, 99% (CP)

Synonym(s):
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)
Empirical Formula (Hill Notation):
13C3C5H10N4O2
CAS Number:
Molecular Weight:
197.17
MDL number:
PubChem Substance ID:
NACRES:
NA.12

Quality Level

isotopic purity

99 atom % 13C

assay

99% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

mass shift

M+3

SMILES string

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

InChI key

RYYVLZVUVIJVGH-VMIGTVKRSA-N

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General description

L-Caffeine-(trimethyl-13C3) is an isotopic analogue of L-caffeine.

Application

L-Caffeine-(trimethyl-13C3) can be used
in the determination of L-Ephedrine, pseudooephedrine and caffeine in rat plasma using LC-TMS and study its toxicokinetic value.
as an internal standard for the investigation of caffeine concentration in drinking foods.

Packaging

1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

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Certificate of Origin

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