≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(C)C)CN4CCOCC4 |
|---|---|
| IUPAC Name | 4-[[1-(4-fluorophenyl)-2-methyl-5-(4-propan-2-ylphenyl)pyrrol-3-yl]methyl]morpholine |
| InChIKey | NEEGNYKRJDHJNX-UHFFFAOYSA-N |
| INCHI | 1S/C25H29FN2O/c1-18(2)20-4-6-21(7-5-20)25-16-22(17-27-12-14-29-15-13-27)19(3)28(25)24-10-8-23(26)9-11-24/h4-11,16,18H,12-15,17H2,1-3H3 |
| Isomeric SMILES | CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(C)C)CN4CCOCC4 |
| PubChem CID | 73953235 |
| Molecular Weight | 392.51 |
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 | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Phenylpyrroles |
| Direct Parent | Diphenylpyrroles |
| Alternative Parents | Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Fluorobenzenes Aralkylamines Morpholines Aryl fluorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2-diphenylpyrrole - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Morpholine - Aryl halide - Oxazinane - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly two phenyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 392.500 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 392.226 Da |
| Monoisotopic Mass | 392.226 Da |
| Topological Polar Surface Area | 17.400 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 493.000 |
| 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 |
![4-[[1-(4-Fluorophenyl)-5-(4-isopropylphenyl)-2-methyl-pyrrol-3-yl]methyl]morpholine - ≥99% CAS No(1493762-74-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/F/1/F1231375.jpg)