Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | COC1=CC=C(C=C1)C2CCCN2CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] |
|---|---|
| IUPAC Name | 2-(4-methoxyphenyl)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]pyrrolidine |
| InChIKey | RBVNERPDMZVXIP-UHFFFAOYSA-N |
| INCHI | 1S/C22H22N2O4/c1-27-17-10-8-16(9-11-17)20-7-4-14-23(20)15-18-12-13-22(28-18)19-5-2-3-6-21(19)24(25)26/h2-3,5-6,8-13,20H,4,7,14-15H2,1H3 |
| Isomeric SMILES | COC1=CC=C(C=C1)C2CCCN2CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-] |
| PubChem CID | 46266483 |
| Molecular Weight | 378.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Nitrobenzenes Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyrroles Furans Heteroaromatic compounds Trialkylamines Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrrolidine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Tertiary amine - Tertiary aliphatic amine - C-nitro compound - Organic nitro compound - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 378.400 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 378.158 Da |
| Monoisotopic Mass | 378.158 Da |
| Topological Polar Surface Area | 71.400 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| 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 |