≥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.
| Sonrisas canónicas | CC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)OCC(CNC(C)(C)C)O)C(=O)C)OCC(CNC(C)(C)C)O |
|---|---|
| IUPAC Name | 1,3-bis[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]urea |
| InChIKey | QPWPODQCWFCWKS-UHFFFAOYSA-N |
| INCHI | 1S/C31H46N4O7/c1-19(36)25-13-21(9-11-27(25)41-17-23(38)15-32-30(3,4)5)34-29(40)35-22-10-12-28(26(14-22)20(2)37)42-18-24(39)16-33-31(6,7)8/h9-14,23-24,32-33,38-39H,15-18H2,1-8H3,(H2,34,35,40) |
| Isómeros SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)OCC(CNC(C)(C)C)O)C(=O)C)OCC(CNC(C)(C)C)O |
| PubChem CID | 147890 |
| Peso molecular | 586.72 |
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 |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | N-phenylureas Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Ureas Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - N-phenylurea - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Phenol ether - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Urea - Secondary alcohol - Carbonic acid derivative - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Alcohol - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 586.700 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 16 |
| Exact Mass | 586.337 Da |
| Monoisotopic Mass | 586.337 Da |
| Topological Polar Surface Area | 158.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 804.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
