≥97% 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.
| Canonical Smiles | C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3 |
|---|---|
| IUPAC Name | 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one |
| InChIKey | IAOCKKZVKNCZPK-UHFFFAOYSA-N |
| INCHI | 1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17) |
| Isomeric SMILES | C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3 |
| PubChem CID | 28576 |
| Molecular Weight | 223.27 |
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 |
| Class | Tetrahydroisoquinolines |
| Subclass | 1-phenyltetrahydroisoquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-phenyltetrahydroisoquinolines |
| Alternative Parents | Isoquinolones and derivatives Benzene and substituted derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenyltetrahydroisoquinoline - Isoquinolone - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2610391 | Certificate of Analysis | Jan 08, 2026 | P191557 |
| D2610393 | Certificate of Analysis | Jan 08, 2026 | P191557 |
| D2610394 | Certificate of Analysis | Jan 08, 2026 | P191557 |
| D2610405 | Certificate of Analysis | Jan 08, 2026 | P191557 |
| Molecular Weight | 223.270 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 223.1 Da |
| Monoisotopic Mass | 223.1 Da |
| Topological Polar Surface Area | 29.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 283.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
