≥98%, mixture of cis and trans 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.
| Pubchem Sid | 488187598 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187598 |
| Canonical Smiles | CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N |
| IUPAC Name | 4-[(4-butoxyphenyl)methylideneamino]benzonitrile |
| InChIKey | JWLPZJPDDBBWQD-UHFFFAOYSA-N |
| INCHI | 1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3 |
| Isomeric SMILES | CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C#N |
| Molecular Weight | 278.36 |
| Reaxy-Rn | 2220313 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2220313&ln= |
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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Alkyl aryl ethers Shiff bases Propargyl-type 1,3-dipolar organic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Shiff base - Aldimine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Imine - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2310506 | Certificate of Analysis | Jan 16, 2023 | B151834 |
| A2305151 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| C2511306 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| L2203200 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| L2203208 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| L2203209 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| L2203210 | Certificate of Analysis | Aug 13, 2022 | B151834 |
| Molecular Weight | 278.300 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 278.142 Da |
| Monoisotopic Mass | 278.142 Da |
| Topological Polar Surface Area | 45.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 355.000 |
| 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 |
