10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
inhibitors of histamine receptors
| ALogP | 4.429 |
|---|---|
| Rotationsfähige Bindung | 4 |
| Kanonisches Lächeln | CC1(N=C(NC(=N1)NC2=CC=C(C=C2)Br)N)C |
|---|---|
| IUPAC Name | 2-N-(4-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine |
| InChIKey | NZEZISMBIMCMOR-UHFFFAOYSA-N |
| INCHI | 1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16,17) |
| Isomere SMILES | CC1(N=C(NC(=N1)NC2=CC=C(C=C2)Br)N)C |
| PubChem CID | 2444014 |
| Molekulargewicht | 444.61 |
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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Bromobenzenes Aminotriazines Aryl bromides 1,3,5-triazines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aniline or substituted anilines - Aminotriazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Triazine - 1,3,5-triazine - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mM) Maximale Löslichkeit | 10 |
|---|---|
| Molekulargewicht | 296.170 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.043 Da |
| Monoisotopic Mass | 295.043 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 |
