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.
| ALogP | 2.1 |
|---|
| Sonrisas canónicas | COC1=CC(=C(C=C1C(=O)NC2CCN3CCCC2C3)Cl)N |
|---|---|
| IUPAC Name | 4-amino-N-(1-azabicyclo[3.3.1]nonan-4-yl)-5-chloro-2-methoxybenzamide |
| InChIKey | GZSKEXSLDPEFPT-UHFFFAOYSA-N |
| INCHI | 1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) |
| Isómeros SMILES | COC1=CC(=C(C=C1C(=O)NC2CCN3CCCC2C3)Cl)N |
| PubChem CID | 3035241 |
| Peso molecular | 323.82 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Aminobenzoic acids and derivatives |
| Direct Parent | Aminobenzamides |
| Alternative Parents | 3-halobenzoic acids and derivatives Aminophenyl ethers Benzamides Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Piperidines Aryl chlorides Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminobenzamide - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Piperidine - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 323.820 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 323.14 Da |
| Monoisotopic Mass | 323.14 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 409.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
