Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | C1COC2=C(O1)C=CC(=C2)CN.Cl |
|---|---|
| IUPAC Name | 2,3-dihydro-1,4-benzodioxin-6-ylmethanamine;hydrochloride |
| InChIKey | GVAPQIGVGPWPIN-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO2.ClH/c10-6-7-1-2-8-9(5-7)12-4-3-11-8;/h1-2,5H,3-4,6,10H2;1H |
| Isomeric SMILES | C1COC2=C(O1)C=CC(=C2)CN.Cl |
| Alternate CAS | 31127-40-9 |
| PubChem CID | 22467626 |
| Molecular Weight | 201.65 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Aralkylamines Alkyl aryl ethers Para dioxins Benzenoids Oxacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Alkyl aryl ether - Aralkylamine - Para-dioxin - Benzenoid - Ether - Oxacycle - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| External Descriptors | Not available |
| Molecular Weight | 201.650 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 201.056 Da |
| Monoisotopic Mass | 201.056 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 151.000 |
| 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 | 2 |