705381

1,7-Dimethylxanthine-2,4,5,6-¹³C₄-1,3,9-¹⁵N₃

≥98 atom %, ≥98% (CP)

• Synonym(s): 1,7-Dimethyl-1H-purine-2,6-dione-¹³C₄,¹⁵N₃ (2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃), 2,6-Dihydroxy-1,7-dimethylpurine-¹³C₄,¹⁵N₃ (2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃), Paraxanthine-¹³C₄,¹⁵N₃ (2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃)
• Empirical Formula (Hill Notation): ¹³C₄C₃H₈¹⁵N₃NO₂
• CAS Number: 1173018-79-5
• Molecular Weight: 187.11
• MDL number: MFCD11656179
• UNSPSC Code: 12352210
• PubChem Substance ID: 329762554
• NACRES: NA.24

Properties

• isotopic purity: ≥98 atom %
• Quality Level: 200
• assay: ≥98% (CP)
• form: powder
• technique(s): mass spectrometry (MS): suitable
• mp: 294-296 °C
• mass shift: M+7
• storage temp.: −20°C
• SMILES string: C[15N]1[13C](=O)[15NH][13c]2[15n]cn(C)[13c]2[13C]1=O
• InChI: 1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
• InChI key: QUNWUDVFRNGTCO-UDYOVZSYSA-N

Description

Packaging

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable