2D Chemical StructureDatabase ID 114417638
No renderable structure data available
SMILES
CC1=CC(=C(C=C1)NC(C)C#C)C(=O)OStructure data verified · Database ID 114417638
Chemical Intermediate
2-(but-3-yn-2-ylamino)-5-methylbenzoic acid
CAS 1597706-28-9Product ID 237728
| Intermediates | 2-(but-3-yn-2-ylamino)-5-methylbenzoic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 1597706-28-9 |
| Database ID | 114417638 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
2-(but-3-yn-2-ylamino)-5-methylbenzoic acid
2-(but-3-yn-2-ylamino)-5-methylbenzoic acid (CAS 1597706-28-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number1597706-28-9
Database ID114417638
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 114417638
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC1=CC(=C(C=C1)NC(C)C#C)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 1597706-28-92-(but-3-yn-2-ylamino)-5-methylbenzoic acid
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