≥95% 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 | C1CC(NC1)CNC(=O)C2=CC3=C(C=C2)OCO3.Cl |
|---|---|
| IUPAC Name | N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride |
| InChIKey | HKJWJSOBFVOVQK-UHFFFAOYSA-N |
| INCHI | 1S/C13H16N2O3.ClH/c16-13(15-7-10-2-1-5-14-10)9-3-4-11-12(6-9)18-8-17-11;/h3-4,6,10,14H,1-2,5,7-8H2,(H,15,16);1H |
| Molecular Weight | 284.740 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Benzenoids Pyrrolidines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Benzenoid - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Hydrochloride - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 284.740 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 284.093 Da |
| Monoisotopic Mass | 284.093 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 311.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
![N-(Pyrrolidin-2-ylmethyl)benzo[d][1,3]dioxole-5-carboxamide hydrochloride - ≥95% , CAS No.1353947-84-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)