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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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 | C1CC(CNC1)NC(=O)OCC2=CC=CC=C2.Cl |
|---|---|
| IUPAC Name | benzyl N-piperidin-3-ylcarbamate;hydrochloride |
| InChIKey | RAIJBIOKQJMHNV-UHFFFAOYSA-N |
| INCHI | 1S/C13H18N2O2.ClH/c16-13(15-12-7-4-8-14-9-12)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12,14H,4,7-10H2,(H,15,16);1H |
| Isomeric SMILES | C1CC(CNC1)NC(=O)OCC2=CC=CC=C2.Cl |
| Molecular Weight | 270.76 |
| Reaxy-Rn | 28171201 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28171201&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Piperidines Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Piperidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 270.750 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 270.114 Da |
| Monoisotopic Mass | 270.114 Da |
| Topological Polar Surface Area | 50.400 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 | 2 |