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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 | COC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)N.Cl.Cl |
|---|---|
| IUPAC Name | methyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate;dihydrochloride |
| InChIKey | LTUTUBUEURQDLJ-UHFFFAOYSA-N |
| INCHI | 1S/C14H19ClN2O2.2ClH/c1-19-13(18)14(16)6-8-17(9-7-14)10-11-2-4-12(15)5-3-11;;/h2-5H,6-10,16H2,1H3;2*1H |
| Isómeros SMILES | COC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)Cl)N.Cl.Cl |
| PubChem CID | 45789709 |
| Peso molecular | 355.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Alpha amino acids and derivatives Piperidinecarboxylic acids Phenylmethylamines Benzylamines Aminopiperidines Aralkylamines Chlorobenzenes Aryl chlorides Methyl esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | N-benzylpiperidine - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - 4-aminopiperidine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary aliphatic amine - Carbonyl group - Hydrochloride - Primary amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
| Peso molecular | 355.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 354.067 Da |
| Monoisotopic Mass | 354.067 Da |
| Topological Polar Surface Area | 55.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 309.000 |
| 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 | 3 |