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 %
• 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
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable