≥97% 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 | B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(CC2)C(=O)OC(C)(C)C |
|---|---|
| InChIKey | GJEFRVPIVCXFQI-UHFFFAOYSA-N |
| INCHI | 1S/C16H26BNO5/c1-14(2,3)21-13(20)18-9-8-11(10-12(18)19)17-22-15(4,5)16(6,7)23-17/h10H,8-9H2,1-7H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(CC2)C(=O)OC(C)(C)C |
| PubChem CID | 66709075 |
| Molecular Weight | 323.2 |
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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydropyridines |
| Alternative Parents | Dioxaborolanes Dicarboximides Carbamate esters Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Hydropyridine - Boronic acid ester - Dicarboximide - 1,3,2-dioxaborolane - Carbamic acid ester - Boronic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic metalloid moeity - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyridines. These are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds.). |
| External Descriptors | Not available |
| Molecular Weight | 323.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 323.19 Da |
| Monoisotopic Mass | 323.19 Da |
| Topological Polar Surface Area | 65.099 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 531.000 |
| 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 |
