≥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.
| ALogP | 4.6 |
|---|
| Canonical Smiles | OCCCNCCCc1ccc(c(c1)C(=O)NCC12CC3CC(C2)CC(C1)C3)Cl |
|---|---|
| IUPAC Name | N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide |
| InChIKey | HSQAARMBHJCUOK-UHFFFAOYSA-N |
| INCHI | 1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29) |
| Isomeric SMILES | C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCO)Cl |
| PubChem CID | 10161381 |
| Molecular Weight | 419 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropylamines |
| Alternative Parents | 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aralkylamines Aryl chlorides Vinylogous halides 1,3-aminoalcohols Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenylpropylamine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - 1,3-aminoalcohol - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Alkanolamine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Alcohol - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Primary alcohol - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 419.000 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 418.239 Da |
| Monoisotopic Mass | 418.239 Da |
| Topological Polar Surface Area | 61.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 514.000 |
| 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 |
![N-[(adamantan-1-yl)methyl]-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide - ≥95% CAS No(345304-65-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/7/N710566.jpg)