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| SKU | Size | Availability |
Price | Qty |
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M171896-500mg
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500mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$1,985.90
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| Synonyms | 4-methoxyazepane | 1071594-49-4 | 4-Methoxy-hexahydro-1H-azepine | MFCD17015864 | 4-Methoxy-azepane | CHEMBL4585958 | SCHEMBL12589173 | DTXSID60598958 | AKOS013026930 | PB16681 | AS-33422 | SY098720 | CS-0050817 | EN300-130660 | A801597 |
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| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azepanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Azepanes |
| Alternative Parents | Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Azepane - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom. |
| External Descriptors | Not available |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | 4-methoxyazepane |
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| INCHI | InChI=1S/C7H15NO/c1-9-7-3-2-5-8-6-4-7/h7-8H,2-6H2,1H3 |
| InChIKey | MBGKJOCBUBJWCC-UHFFFAOYSA-N |
| Smiles | COC1CCCNCC1 |
| Isomeric SMILES | COC1CCCNCC1 |
| Molecular Weight | 129.203 |
| Reaxy-Rn | 21331478 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21331478&ln= |
| Molecular Weight | 129.199 g/mol |
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| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 129.115 Da |
| Monoisotopic Mass | 129.115 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 75.300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |