≥97% 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.
| Sonrisas canónicas | C1=CC=C(C=C1)CNC2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | N-benzyl-4-bromoaniline |
| InChIKey | AZLKZLKCCRFAAE-UHFFFAOYSA-N |
| INCHI | 1S/C13H12BrN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2 |
| Isómeros SMILES | C1=CC=C(C=C1)CNC2=CC=C(C=C2)Br |
| PubChem CID | 961575 |
| Peso molecular | 262.16 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzamines |
| Alternative Parents | Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organopnictogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylbenzamine - Benzylamine - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Secondary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 262.140 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 261.015 Da |
| Monoisotopic Mass | 261.015 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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 |
