2D Chemical StructureDatabase ID 16770552
No renderable structure data available
SMILES
C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)OStructure data verified · Database ID 16770552
Chemical Intermediate
4-(azepan-1-ylmethyl)benzoic acid
CAS 414884-12-1Product ID 417942
| Intermediates | 4-(azepan-1-ylmethyl)benzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 414884-12-1 |
| Database ID | 16770552 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
4-(azepan-1-ylmethyl)benzoic acid
4-(azepan-1-ylmethyl)benzoic acid (CAS 414884-12-1) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number414884-12-1
Database ID16770552
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 16770552
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1CCCN(CC1)CC2=CC=C(C=C2)C(=O)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 414884-12-14-(azepan-1-ylmethyl)benzoic acid
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