≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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(=CC=C1C2=CN=C(N=C2)C3=CC=C(C=C3)N)N |
|---|---|
| InChIKey | LJQRDZHDYMOIIO-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N4/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H,17-18H2 |
| Isómeros SMILES | C1=CC(=CC=C1C2=CN=C(N=C2)C3=CC=C(C=C3)N)N |
| Peso molecular | 262.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Punto de ebullición (°C) | 418.6±45.0°C(Predicted) |
|---|---|
| Peso molecular | 262.310 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.122 Da |
| Monoisotopic Mass | 262.122 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 285.000 |
| 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 |
