2D Chemical Structure
No renderable structure data available
SMILES
O=C1C2=C(N=[13CH]N2)[15N](C)C([15N]1C)=OStructure data verified · Database ID —
Chemical Intermediate
Theophylline-1,3-15N2,13C
CAS 1246816-25-0Product ID 715801
| Intermediates | Theophylline-1,3-15N2,13C |
|---|---|
| IUPAC Name | — |
| CAS Number | 1246816-25-0 |
| Database ID | — |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
Theophylline-1,3-15N2,13C
Theophylline-1,3-15N2,13C (CAS 1246816-25-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1246816-25-0
Database ID—
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- O=C1C2=C(N=[13CH]N2)[15N](C)C([15N]1C)=O
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
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CAS 1246816-25-0Theophylline-1,3-15N2,13C
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