≥90% 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.
| Sonrisas canónicas | C1=CC=C(C(=C1)C#N)NCC2=NNC(=O)C3=CC=CC=C32 |
|---|---|
| IUPAC Name | 2-[(4-oxo-3H-phthalazin-1-yl)methylamino]benzonitrile |
| InChIKey | LMHKCOIQRJCRDQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N4O/c17-9-11-5-1-4-8-14(11)18-10-15-12-6-2-3-7-13(12)16(21)20-19-15/h1-8,18H,10H2,(H,20,21) |
| Isómeros SMILES | C1=CC=C(C(=C1)C#N)NCC2=NNC(=O)C3=CC=CC=C32 |
| PubChem CID | 1482304 |
| Peso molecular | 276.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Phthalazines |
| Direct Parent | Phthalazinones |
| Alternative Parents | Phenylalkylamines Benzonitriles Aniline and substituted anilines Secondary alkylarylamines Pyridazinones Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalazinone - Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Pyridazinone - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 276.290 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 276.101 Da |
| Monoisotopic Mass | 276.101 Da |
| Topological Polar Surface Area | 77.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 478.000 |
| 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 |
