2D Chemical StructureDatabase ID 841695
No renderable structure data available
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC#NStructure data verified · Database ID 841695
Chemical Intermediate
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
CAS 546116-57-8Product ID 451111
| Intermediates | 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile |
|---|---|
| IUPAC Name | — |
| CAS Number | 546116-57-8 |
| Database ID | 841695 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile (CAS 546116-57-8) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number546116-57-8
Database ID841695
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 841695
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC#N
- 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 546116-57-83-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropanenitrile
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