≥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.
| Sonrisas canónicas | CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl |
|---|---|
| IUPAC Name | [4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone |
| InChIKey | JYTNQNCOQXFQPK-UHFFFAOYSA-N |
| INCHI | 1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3 |
| Isómeros SMILES | CC1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl |
| PubChem CID | 57505028 |
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 | Toluenes |
| Intermediate Tree Nodes | Toluamides - m-Toluamides |
| Direct Parent | N,N-dialkyl-m-toluamides |
| Alternative Parents | Phenyl-1,2,3-triazoles Benzamides Benzoxazoles Benzoyl derivatives Dialkylarylamines 1,4-diazepanes Aryl chlorides Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organochlorides Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N,n-dialkyl-m-toluamide - Phenyl-1,2,3-triazole - Phenyltriazole - Benzoxazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - 1,4-diazepane - Diazepane - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Oxazole - 1,2,3-triazole - Triazole - Tertiary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n,n-dialkyl-m-toluamides. These are aromatic that contain a m-toluamide, where the carboxamide group is N- substituted with two alkyl chains. |
| External Descriptors | Not available |
| Peso molecular | 450.900 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 450.157 Da |
| Monoisotopic Mass | 450.157 Da |
| Topological Polar Surface Area | 80.300 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 664.000 |
| 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 | 1 |
![(4-(5-chlorobenzo[d]oxazol-2-yl)-7-methyl-1,4-diazepan-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone - ≥95% , CAS No.1352834-55-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)