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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 | CC1(CC2=C(O1)C(=CC=C2)OCCN)C.Cl |
|---|---|
| IUPAC Name | 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanamine;hydrochloride |
| InChIKey | LVLXBNJIEWKDJG-UHFFFAOYSA-N |
| INCHI | 1S/C12H17NO2.ClH/c1-12(2)8-9-4-3-5-10(11(9)15-12)14-7-6-13;/h3-5H,6-8,13H2,1-2H3;1H |
| Isomeric SMILES | CC1(CC2=C(O1)C(=CC=C2)OCCN)C.Cl |
| PubChem CID | 43810586 |
| Molecular Weight | 243.72 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Coumarans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarans |
| Alternative Parents | Phenol ethers Alkyl aryl ethers Oxacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Phenol ether - Alkyl aryl ether - Benzenoid - Ether - Oxacycle - Organic nitrogen compound - Hydrochloride - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. |
| External Descriptors | Not available |
| Molecular Weight | 243.730 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.103 Da |
| Monoisotopic Mass | 243.103 Da |
| Topological Polar Surface Area | 44.500 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| 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 |