≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=CC(=CC=C1)CN2CCC3=C(C2=O)C=CC=C3O |
|---|---|
| IUPAC Name | 5-hydroxy-2-[(3-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one |
| InChIKey | HKXDQOGGSTUMEF-UHFFFAOYSA-N |
| INCHI | 1S/C17H17NO2/c1-12-4-2-5-13(10-12)11-18-9-8-14-15(17(18)20)6-3-7-16(14)19/h2-7,10,19H,8-9,11H2,1H3 |
| Isómeros SMILES | CC1=CC(=CC=C1)CN2CCC3=C(C2=O)C=CC=C3O |
| PubChem CID | 33677301 |
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 | Organoheterocyclic compounds |
| Clase | Isoquinolines and derivatives |
| Subclass | Benzylisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylisoquinolines |
| Alternative Parents | Isoquinolones and derivatives Tetrahydroisoquinolines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzylisoquinoline - Isoquinolone - Tetrahydroisoquinoline - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - N-acyl-amine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. |
| External Descriptors | Not available |
| Peso molecular | 267.320 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 267.126 Da |
| Monoisotopic Mass | 267.126 Da |
| Topological Polar Surface Area | 40.500 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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 |
