Caffeine-[13C3]

General Information
Catalog: BLP-001602
CAS: 78072-66-9
Molecular Formula: C5[13C]3H10N4O2
Molecular Weight: 197.17
Related CAS: 58-08-2 (unlabelled)
Chemical Structure
Description Caffeine-[13C3] is the carbon-13 labelled edition of Caffeic. Caffeine is a central nervous system stimulant of the methylxanthine class.
Synonyms Caffeine-trimethyl-13C3; Caffeine-13C3
IUPAC Name 1,3,7-tri((1-13C)methyl)purine-2,6-dione
Canonical SMILES CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI 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
Melting Point 234-237°C
Purity 99% atom 13C
Solubility Soluble in Chloroform, Methanol
Appearance White Solid
Storage Store at -20°C

Related Products

Online Inquiry


  • Verification code

USA

UK

Share

Interested in our Service & Products?
Need detailed information?



Inquiry Basket