≥96% 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 | CCCCC1=C(C2=C(O1)C=CC(=C2)N)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC |
|---|---|
| IUPAC Name | (5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone |
| InChIKey | SPIIBUQYWNFELT-UHFFFAOYSA-N |
| INCHI | 1S/C30H42N2O3/c1-4-7-11-28-29(26-22-24(31)14-17-27(26)35-28)30(33)23-12-15-25(16-13-23)34-21-10-20-32(18-8-5-2)19-9-6-3/h12-17,22H,4-11,18-21,31H2,1-3H3 |
| Isomeric SMILES | CCCCC1=C(C2=C(O1)C=CC(=C2)N)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC |
| PubChem CID | 11488441 |
| Molecular Weight | 478.68 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Benzofurans Phenoxy compounds Phenol ethers Benzoyl derivatives 3-aroylfurans Alkyl aryl ethers Heteroaromatic compounds Trialkylamines Oxacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - Benzofuran - Phenoxy compound - Benzoyl - 3-aroylfuran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 478.700 g/mol |
|---|---|
| XLogP3 | 7.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 16 |
| Exact Mass | 478.32 Da |
| Monoisotopic Mass | 478.32 Da |
| Topological Polar Surface Area | 68.700 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 584.000 |
| 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 |
