Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 504771751 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771751 |
| Sonrisas canónicas | CC1=CC(=CC=C1)N2C3=C(C=NC=C3)C4=C2C=CN=C4 |
| IUPAC Name | 8-(3-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene |
| InChIKey | WAQDNMLJAYQJRN-UHFFFAOYSA-N |
| INCHI | 1S/C17H13N3/c1-12-3-2-4-13(9-12)20-16-5-7-18-10-14(16)15-11-19-8-6-17(15)20/h2-11H,1H3 |
| Isómeros SMILES | CC1=CC(=CC=C1)N2C3=C(C=NC=C3)C4=C2C=CN=C4 |
| Peso molecular | 259.31 |
| Reaxy-Rn | 43217280 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43217280&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 |
| Clase | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrroles |
| Alternative Parents | Pyrrolopyridines Toluenes Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrole - Pyrrolopyridine - Toluene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Oct 13, 2023 | M158776 | |
| Certificate of Analysis | Oct 13, 2023 | M158776 | |
| Certificate of Analysis | Oct 13, 2023 | M158776 | |
| Certificate of Analysis | Oct 13, 2023 | M158776 | |
| Certificate of Analysis | Oct 13, 2023 | M158776 | |
| Certificate of Analysis | Oct 13, 2023 | M158776 |
| Peso molecular | 259.300 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 259.111 Da |
| Monoisotopic Mass | 259.111 Da |
| Topological Polar Surface Area | 30.700 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 323.000 |
| 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 |