Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl |
|---|---|
| IUPAC Name | 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide;hydrochloride |
| InChIKey | BRECEDGYMYXGNF-UHFFFAOYSA-N |
| INCHI | 1S/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H |
| Isómeros SMILES | COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2.Cl |
| CAS alternativo | 59338-93-1 |
| PubChem CID | 135497066 |
| Peso molecular | 351.831 |
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 |
| Clase | Benzotriazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzotriazoles |
| Alternative Parents | Anisoles Alkyl aryl ethers N-alkylpyrrolidines Triazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzotriazole - Anisole - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Azole - Pyrrolidine - Heteroaromatic compound - Triazole - 1,2,3-triazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzotriazoles. These are organic compounds containing a benzene fused to a triazole ring (a five-membered ring with two carbon atoms and three nitrogen atoms). |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Apr 07, 2025 | A129471 | |
| Certificate of Analysis | Apr 07, 2025 | A129471 | |
| Certificate of Analysis | Apr 07, 2025 | A129471 | |
| Certificate of Analysis | Apr 07, 2025 | A129471 | |
| Certificate of Analysis | Apr 07, 2025 | A129471 |
| Solubilidad | DMF: 5 mg/mL,DMSO: 10 mg/mL,Ethanol: 0.5 mg/mL,PBS (pH 7.2): 10 mg/mL |
|---|---|
| Sensibilidad | Moisture sensitive |
| Peso molecular | 351.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 351.146 Da |
| Monoisotopic Mass | 351.146 Da |
| Topological Polar Surface Area | 83.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 433.000 |
| 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 |