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.
| Canonical Smiles | CC1=NC2=C3C(=C(C=C2C=C1)NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC(=N3)C |
|---|---|
| IUPAC Name | 2,9-dimethyl-N-(2,4,6-trinitrophenyl)-1,10-phenanthrolin-5-amine |
| InChIKey | YMWCRDXLDDCILP-UHFFFAOYSA-N |
| INCHI | 1S/C20H14N6O6/c1-10-3-5-12-7-15(14-6-4-11(2)22-19(14)18(12)21-10)23-20-16(25(29)30)8-13(24(27)28)9-17(20)26(31)32/h3-9,23H,1-2H3 |
| Isomeric SMILES | CC1=NC2=C3C(=C(C=C2C=C1)NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC(=N3)C |
| UN Number | 1325 |
| Packing Group | III |
| Molecular Weight | 434.37 |
| Reaxy-Rn | 50520278 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50520278&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Phenanthrolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrolines |
| Alternative Parents | Aminoquinolines and derivatives Nitrobenzenes Nitroaromatic compounds Aniline and substituted anilines Methylpyridines Primary aromatic amines Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1,10-phenanthroline - Aminoquinoline - Quinoline - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Methylpyridine - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 434.400 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 434.097 Da |
| Monoisotopic Mass | 434.097 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 714.000 |
| 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 |
