≥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 | CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)C(C)C |
|---|---|
| IUPAC Name | 6-chloro-2-N,4-N-bis(4-propan-2-ylphenyl)-1,3,5-triazine-2,4-diamine |
| InChIKey | NXXMZLKFJPHBRX-UHFFFAOYSA-N |
| INCHI | 1S/C21H24ClN5/c1-13(2)15-5-9-17(10-6-15)23-20-25-19(22)26-21(27-20)24-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,23,24,25,26,27) |
| Isomeric SMILES | CC(C)C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)C(C)C |
| PubChem CID | 1926104 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Cumenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cumenes |
| Alternative Parents | Phenylpropanes Aniline and substituted anilines 1,3,5-triazine-2,4-diamines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Cumene - Phenylpropane - 2,4-diamine-s-triazine - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - Aryl halide - Triazine - 1,3,5-triazine - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 381.900 g/mol |
|---|---|
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 381.172 Da |
| Monoisotopic Mass | 381.172 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 392.000 |
| 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 |
