≥95% 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.
| Canonical Smiles | CC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3 |
|---|---|
| IUPAC Name | 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methylphenyl)propan-1-one |
| InChIKey | SUZSHGJPHHKPBA-UHFFFAOYSA-N |
| INCHI | 1S/C18H19NO3/c1-13-2-4-14(5-3-13)16(20)8-9-19-15-6-7-17-18(12-15)22-11-10-21-17/h2-7,12,19H,8-11H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCCO3 |
| PubChem CID | 4145514 |
| Molecular Weight | 297.35 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzo-1,4-dioxanes Benzoyl derivatives Aryl alkyl ketones Toluenes Secondary alkylarylamines Alkyl aryl ethers Para dioxins Beta-amino ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyl-phenylketone - Benzo-1,4-dioxane - Benzodioxane - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Toluene - Para-dioxin - Beta-aminoketone - Monocyclic benzene moiety - Benzenoid - Secondary amine - Ether - Oxacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 297.300 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 297.136 Da |
| Monoisotopic Mass | 297.136 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
