for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CN(C)C1=CC2=C(C=C1)OC3C2CC(OC3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5 |
|---|---|
| IUPAC Name | 2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide |
| InChIKey | MRJCPWMBHXTRFB-HGAMEBRSSA-N |
| INCHI | 1S/C29H32N2O5/c1-31(2)20-10-13-26-24(14-20)25-15-23(35-27(18-32)29(25)36-26)16-28(33)30-17-19-8-11-22(12-9-19)34-21-6-4-3-5-7-21/h3-14,23,25,27,29,32H,15-18H2,1-2H3,(H,30,33)/t23-,25-,27-,29+/m0/s1 |
| Isómeros SMILES | CN(C)C1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@H]3CO)CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5 |
| PubChem CID | 54646219 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Coumarans Furopyrans Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Pyrans Oxanes Furans Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Primary alcohols Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Coumaran - Furopyran - Phenoxy compound - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Alkyl aryl ether - Oxane - Pyran - Furan - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Peso molecular | 488.600 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 488.231 Da |
| Monoisotopic Mass | 488.231 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 706.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
![2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide - CAS No(1565827-99-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/1/S1227346.jpg)