≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| パブケム・シド | 528762998 |
|---|---|
| カノニカル・スマイル | CC1=C(C2=CC=CC=C2C(=N1)NC(=O)C)C#N |
| IUPAC Name | N-(4-cyano-3-methylisoquinolin-1-yl)acetamide |
| InChIKey | SRNACQXBALMDDC-UHFFFAOYSA-N |
| INCHI | 1S/C13H11N3O/c1-8-12(7-14)10-5-3-4-6-11(10)13(15-8)16-9(2)17/h3-6H,1-2H3,(H,15,16,17) |
| 異性体SMILES | CC1=C(C2=CC=CC=C2C(=N1)NC(=O)C)C#N |
| 分子量 | 225.25 |
| Reaxy-Rn | 35237891 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35237891&ln= |
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 |
| 分類 | Isoquinolines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoquinolines and derivatives |
| Alternative Parents | N-acetylarylamines Methylpyridines Imidolactams Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isoquinoline - N-acetylarylamine - N-arylamide - Methylpyridine - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound |
| 説明 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 C2414121 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| C2414122 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| C2414123 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| C2414124 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| C2414125 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| C2414126 | Certificate of Analysis | Feb 01, 2024 | A276159 |
| 溶解度 | Soluble in DMSO |
|---|---|
| 分子量 | 225.250 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 225.09 Da |
| Monoisotopic Mass | 225.09 Da |
| Topological Polar Surface Area | 65.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 346.000 |
| 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 |
