≥98% 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.
| Canonical Smiles | B(C1=CC=C(C=C1)C(=O)NCCN2CCCC2)(O)O.Cl |
|---|---|
| IUPAC Name | [4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]boronic acid;hydrochloride |
| InChIKey | WQGZMXJVRQNVRB-UHFFFAOYSA-N |
| INCHI | 1S/C13H19BN2O3.ClH/c17-13(15-7-10-16-8-1-2-9-16)11-3-5-12(6-4-11)14(18)19;/h3-6,18-19H,1-2,7-10H2,(H,15,17);1H |
| Isomeric SMILES | B(C1=CC=C(C=C1)C(=O)NCCN2CCCC2)(O)O.Cl |
| PubChem CID | 44119177 |
| Molecular Weight | 298.58 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoyl derivatives N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Boronic acids Amino acids and derivatives Organic metalloid salts Azacyclic compounds Organooxygen compounds Organometalloid compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Benzoyl - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Boronic acid derivative - Boronic acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Amine - Hydrocarbon derivative - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 298.570 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 298.126 Da |
| Monoisotopic Mass | 298.126 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| 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 | 2 |
