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Basic Description
| Synonyms | isoquinolin-4-ol | 4-Hydroxyisoquinoline | 3336-49-0 | 4-ISOQUINOLINOL | 4-Isoquinolol | 33364-92-0 | 4-HYDROXY-ISOQUINOLINE | FSA7EJB9BG | MFCD00234514 | NSC-153682 | NSC 153682 | BRN 0114428 | 4-oxidoisoquinolinium | UNII-FSA7EJB9BG | 5-21-03-00321 (Beilstein Handbook Reference) | S |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoquinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | Hydroxypyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - Hydroxypyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488182503 |
|---|---|
| IUPAC Name | isoquinolin-4-ol |
| INCHI | InChI=1S/C9H7NO/c11-9-6-10-5-7-3-1-2-4-8(7)9/h1-6,11H |
| InChIKey | DXTUTXYCHFWRQC-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C=NC=C2O |
| Isomeric SMILES | C1=CC=C2C(=C1)C=NC=C2O |
| Molecular Weight | 145.2 |
| Reaxy-Rn | 114428 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114428&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E23151161 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151162 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151160 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151156 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151154 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151158 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151147 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| F2523737 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
| E23151152 |
Certificate of Analysis | Mar 24, 2023 | H183785 |
Chemical and Physical Properties
| Molecular Weight | 145.160 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 145.053 Da |
| Monoisotopic Mass | 145.053 Da |
| Topological Polar Surface Area | 33.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 138.000 |
| 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 |
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