≥98% 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.
| Sonrisas canónicas | B1(OCCCO1)C2=CC=C(C=C2)C(=O)NCCC#N |
|---|---|
| IUPAC Name | N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide |
| InChIKey | PFLGLNOIHGMWPX-UHFFFAOYSA-N |
| INCHI | 1S/C13H15BN2O3/c15-7-1-8-16-13(17)11-3-5-12(6-4-11)14-18-9-2-10-19-14/h3-6H,1-2,8-10H2,(H,16,17) |
| Isómeros SMILES | B1(OCCCO1)C2=CC=C(C=C2)C(=O)NCCC#N |
| PubChem CID | 46738966 |
| Peso molecular | 258.1 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Benzoyl derivatives Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Nitriles Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Benzoyl - Boronic acid ester - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 258.079 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 258.118 Da |
| Monoisotopic Mass | 258.118 Da |
| Topological Polar Surface Area | 71.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 341.000 |
| 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 |
