≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CC=CC3)C |
|---|---|
| IUPAC Name | [4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3,4-dimethylphenyl)methanone |
| InChIKey | ALWQETUJWSDKFS-UHFFFAOYSA-N |
| INCHI | 1S/C20H21NO/c1-15-5-8-19(13-16(15)2)20(22)18-9-6-17(7-10-18)14-21-11-3-4-12-21/h3-10,13H,11-12,14H2,1-2H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CC=CC3)C |
| PubChem CID | 24724636 |
| Molecular Weight | 291.394 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Diphenylmethanes Aryl-phenylketones o-Xylenes Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Pyrrolines Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Benzylamine - O-xylene - Xylene - Phenylmethylamine - Aryl ketone - Aralkylamine - Pyrroline - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 291.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 291.162 Da |
| Monoisotopic Mass | 291.162 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 400.000 |
| 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 | 1 |
