BRN 4689508
5-(azepan-1-ylmethyl)-3-chloro-4,5-dimethylfuran-2-one
CAS: 104502-45-6
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.75 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.5 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 104502-45-6 |
|---|---|
| SMILES | CC1=C(C(=O)OC1(C)CN2CCCCCC2)Cl |
| InChIKey | XGGSEAYTGROACB-UHFFFAOYSA-N |
📖 Product Overview
BRN 4689508 (CAS: 104502-45-6) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.75 g/mol. Its IUPAC systematic name is 5-(azepan-1-ylmethyl)-3-chloro-4,5-dimethylfuran-2-one.
XGGSEAYTGROACB-UHFFFAOYSA-N.
SMILES: CC1=C(C(=O)OC1(C)CN2CCCCCC2)Cl.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions
What is the typical lead time for this product?
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What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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