≥97% 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 | 488196163 |
|---|---|
| Canonical Smiles | C1COCCNC1=O |
| IUPAC Name | 1,4-oxazepan-5-one |
| InChIKey | OXDIYMHNQAWSCL-UHFFFAOYSA-N |
| INCHI | 1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7) |
| Isomeric SMILES | C1COCCNC1=O |
| Molecular Weight | 115.13 |
| Reaxy-Rn | 108857 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108857&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 | Organoheterocyclic compounds |
| Class | Oxazepines |
| Subclass | 1,4-oxazepines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,4-oxazepines |
| Alternative Parents | Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Para-oxazepine - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively. |
| 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 |
|---|---|---|---|
 D2028025 | Certificate of Analysis | Feb 23, 2024 | O189427 |
| G23131172 | Certificate of Analysis | May 09, 2023 | O189427 |
| G23131248 | Certificate of Analysis | May 09, 2023 | O189427 |
| G23131283 | Certificate of Analysis | May 09, 2023 | O189427 |
| G23131365 | Certificate of Analysis | May 09, 2023 | O189427 |
| G23131369 | Certificate of Analysis | May 09, 2023 | O189427 |
| G23131388 | Certificate of Analysis | May 09, 2023 | O189427 |
| K2526028 | Certificate of Analysis | May 09, 2023 | O189427 |
| Sensitivity | Hygroscopic |
|---|---|
| Melt Point(°C) | 80-82°C |
| Molecular Weight | 115.130 g/mol |
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 115.063 Da |
| Monoisotopic Mass | 115.063 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 92.400 |
| 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 |
