| Pubchem Sid | 488184490 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184490 |
| Canonical Smiles | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| IUPAC Name | N-benzyl-3-oxobutanamide |
| InChIKey | KOHNUEXAOQRRPI-UHFFFAOYSA-N |
| INCHI | 1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14) |
| Isomeric SMILES | CC(=O)CC(=O)NCC1=CC=CC=C1 |
| Molecular Weight | 191.232 |
| Beilstein | 12(3)2298 |
| Reaxy-Rn | 2693287 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2693287&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty amides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-acyl amines |
| Alternative Parents | Benzene and substituted derivatives 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - N-acyl-amine - Benzenoid - 1,3-dicarbonyl compound - Carboxamide group - Ketone - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl amines. These are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. |
| 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 |
|---|---|---|---|
 J2123038 | Certificate of Analysis | Aug 11, 2025 | B117238 |
| J2123440 | Certificate of Analysis | Aug 11, 2025 | B117238 |
| K1520227 | Certificate of Analysis | Jul 11, 2023 | B117238 |
| G1916267 | Certificate of Analysis | May 06, 2023 | B117238 |
| D2424030 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| E2325208 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| E2325240 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| H2231035 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| J2430179 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| L2404110 | Certificate of Analysis | Sep 16, 2021 | B117238 |
| Solubility | Soluble in Acetone, Dichloromethane and Ethyl Acetate. |
|---|---|
| Melt Point(°C) | 101.0-105.0 °C |
| Molecular Weight | 191.230 g/mol |
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 191.095 Da |
| Monoisotopic Mass | 191.095 Da |
| Topological Polar Surface Area | 46.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| 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 |
