Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | C1CC2(CCN(CC2)CC3=CC=CC=C3)CNC1.Cl.Cl |
|---|---|
| IUPAC Name | 9-benzyl-2,9-diazaspiro[5.5]undecane;dihydrochloride |
| InChIKey | XGJSNBAOPRYLDZ-UHFFFAOYSA-N |
| INCHI | 1S/C16H24N2.2ClH/c1-2-5-15(6-3-1)13-18-11-8-16(9-12-18)7-4-10-17-14-16;;/h1-3,5-6,17H,4,7-14H2;2*1H |
| Isomeric SMILES | C1CC2(CCN(CC2)CC3=CC=CC=C3)CNC1.Cl.Cl |
| PubChem CID | 49759488 |
| Molecular Weight | 317.3 |
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 | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Azaspirodecane derivatives Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Dialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzylpiperidine - Azaspirodecane - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 317.300 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 316.147 Da |
| Monoisotopic Mass | 316.147 Da |
| Topological Polar Surface Area | 15.300 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |