for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1COC2=C(C=C(C=C2)CN)OC1 |
|---|---|
| IUPAC Name | 3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethanamine |
| InChIKey | MCHQABHXBPYZCT-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO2/c11-7-8-2-3-9-10(6-8)13-5-1-4-12-9/h2-3,6H,1,4-5,7,11H2 |
| Isómeros SMILES | C1COC2=C(C=C(C=C2)CN)OC1 |
| PubChem CID | 2795295 |
| Peso molecular | 179.21 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyl aryl ethers |
| Alternative Parents | Aralkylamines Benzenoids Oxacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aralkylamine - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 179.220 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 179.095 Da |
| Monoisotopic Mass | 179.095 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
