2D Chemical StructureDatabase ID 12203054
No renderable structure data available
SMILES
O=C1C2=C(NC=N2)[15N](C)[13C]([15N]1C)=OStructure data verified · Database ID 12203054
Chemical Intermediate
Theophylline-1,3-15N2-2-13C
CAS 84718-95-6Product ID 712870
| Intermediates | Theophylline-1,3-15N2-2-13C |
|---|---|
| IUPAC Name | — |
| CAS Number | 84718-95-6 |
| Database ID | 12203054 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
Theophylline-1,3-15N2-2-13C
Theophylline-1,3-15N2-2-13C (CAS 84718-95-6) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number84718-95-6
Database ID12203054
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 12203054
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- O=C1C2=C(NC=N2)[15N](C)[13C]([15N]1C)=O
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 84718-95-6Theophylline-1,3-15N2-2-13C
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