≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | B(C1=CC=C(C=C1)CNC2=CC=CC=C2)(O)O |
|---|---|
| IUPAC Name | [4-(anilinomethyl)phenyl]boronic acid |
| InChIKey | FHQIDGWZDOKKDI-UHFFFAOYSA-N |
| INCHI | 1S/C13H14BNO2/c16-14(17)12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15-17H,10H2 |
| Isomeric SMILES | B(C1=CC=C(C=C1)CNC2=CC=CC=C2)(O)O |
| PubChem CID | 46738822 |
| Molecular Weight | 227.07 |
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 | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzamines |
| Alternative Parents | Phenylalkylamines Benzylamines Aniline and substituted anilines Secondary alkylarylamines Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylbenzamine - Benzylamine - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Boronic acid derivative - Boronic acid - Organic metalloid salt - Secondary amine - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | 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 |
| Molecular Weight | 227.070 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 227.112 Da |
| Monoisotopic Mass | 227.112 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 211.000 |
| 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 |
