2D Chemical StructureDatabase ID 157994
No renderable structure data available
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCClStructure data verified · Database ID 157994
Chemical Intermediate
7-Chloroethyl-8-benzyltheophylline
CAS 81781-90-0Product ID 741868
| Intermediates | 7-Chloroethyl-8-benzyltheophylline |
|---|---|
| IUPAC Name | — |
| CAS Number | 81781-90-0 |
| Database ID | 157994 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
7-Chloroethyl-8-benzyltheophylline
7-Chloroethyl-8-benzyltheophylline (CAS 81781-90-0) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number81781-90-0
Database ID157994
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 157994
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCCl
- 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 81781-90-07-Chloroethyl-8-benzyltheophylline
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