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)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=C(C(=CC=C3)OC)OC |
|---|---|
| IUPAC Name | 2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one |
| InChIKey | INXWUTKNKFIWLP-UHFFFAOYSA-N |
| INCHI | 1S/C21H24N2O5S/c1-22(2)10-11-23-17(13-7-5-8-14(27-3)20(13)28-4)16(19(25)21(23)26)18(24)15-9-6-12-29-15/h5-9,12,17,25H,10-11H2,1-4H3 |
| Molecular Weight | 416.5 |
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 | Pyrrolines |
| Subclass | Phenylpyrrolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolines |
| Alternative Parents | Dimethoxybenzenes Pyrroline carboxylic acids and derivatives Phenoxy compounds Anisoles Aryl ketones Alkyl aryl ethers Vinylogous acids Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Enols Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrroline - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Pyrrole - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Ether - Enol - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 416.500 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 416.141 Da |
| Monoisotopic Mass | 416.141 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 653.000 |
| 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 |
