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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.
| Canonical Smiles | C1CCNC(C1)CCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 2-(2-phenylethyl)piperidine |
| InChIKey | MOUYVILUKZKNDE-UHFFFAOYSA-N |
| INCHI | 1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2 |
| Isomeric SMILES | C1CCNC(C1)CCC2=CC=CC=C2 |
| PubChem CID | 5190919 |
| Molecular Weight | 189.3 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Alkaloids and derivatives |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkaloids and derivatives |
| Alternative Parents | Aralkylamines Piperidines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkaloid or derivatives - Aralkylamine - Benzenoid - Piperidine - Monocyclic benzene moiety - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. |
| External Descriptors | Not available |
| Molecular Weight | 189.300 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 189.152 Da |
| Monoisotopic Mass | 189.152 Da |
| Topological Polar Surface Area | 12.000 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 149.000 |
| 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 |
