≥95% 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 | CN(C(CCN1CCCC1)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | benzyl N-[1-(4-chlorophenyl)-3-pyrrolidin-1-ylpropyl]-N-methylcarbamate |
| InChIKey | ZGRRONMCJIREIE-UHFFFAOYSA-N |
| INCHI | 1S/C22H27ClN2O2/c1-24(22(26)27-17-18-7-3-2-4-8-18)21(13-16-25-14-5-6-15-25)19-9-11-20(23)12-10-19/h2-4,7-12,21H,5-6,13-17H2,1H3 |
| Isomeric SMILES | CN(C(CCN1CCCC1)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 |
| PubChem CID | 2760523 |
| Molecular Weight | 386.92 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Chlorobenzenes Aralkylamines N-alkylpyrrolidines Aryl chlorides Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl chloride - N-alkylpyrrolidine - Carbamic acid ester - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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 | 386.900 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 386.176 Da |
| Monoisotopic Mass | 386.176 Da |
| Topological Polar Surface Area | 32.800 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| 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 |
