Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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 | OCc1ccccc1c1nc(NCc2ccccc2)nc(n1)N |
|---|---|
| IUPAC Name | [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol |
| InChIKey | MDGIEDNDSFMSLP-UHFFFAOYSA-N |
| INCHI | 1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22) |
| Isómeros SMILES | C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)C3=CC=CC=C3CO |
| PubChem CID | 56707820 |
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 |
| Clase | Triazines |
| Subclass | Aminotriazines |
| Intermediate Tree Nodes | N-aliphatic s-triazines |
| Direct Parent | 2-benzylamino-s-triazines |
| Alternative Parents | Benzylamines Benzyl alcohols 1,3,5-triazine-2,4-diamines Secondary alkylarylamines 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-benzylamino-s-triazine - 2,4-diamine-s-triazine - Benzyl alcohol - Benzylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Secondary amine - Azacycle - Aromatic alcohol - Alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-benzylamino-s-triazines. These are aromatic heterocyclic compounds containing a S-triazine ring, which is N-substituted at the 2-position with a benzylamine. |
| External Descriptors | Not available |
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| Peso molecular | 307.350 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 307.143 Da |
| Monoisotopic Mass | 307.143 Da |
| Topological Polar Surface Area | 97.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| 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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