≥97% 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.
| Canonical Smiles | CC1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC(=C3)C |
|---|---|
| IUPAC Name | 6-chloro-2-N,4-N-bis(3-methylphenyl)-1,3,5-triazine-2,4-diamine |
| InChIKey | CJURHQCDXDUZIA-UHFFFAOYSA-N |
| INCHI | 1S/C17H16ClN5/c1-11-5-3-7-13(9-11)19-16-21-15(18)22-17(23-16)20-14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,19,20,21,22,23) |
| Isomeric SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC(=C3)C |
| Alternate CAS | 62752-05-0 |
| PubChem CID | 695289 |
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 |
| Class | Triazines |
| Subclass | Aminotriazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,5-triazine-2,4-diamines |
| Alternative Parents | Aniline and substituted anilines Toluenes Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2,4-diamine-s-triazine - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - Azacycle - Secondary amine - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups. |
| External Descriptors | Not available |
| Molecular Weight | 325.800 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.109 Da |
| Monoisotopic Mass | 325.109 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 337.000 |
| 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 |
