≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice 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 | C1CNCCOC1 |
|---|---|
| IUPAC Name | 1,4-oxazepane |
| InChIKey | ZNGWEEUXTBNKFR-UHFFFAOYSA-N |
| INCHI | 1S/C5H11NO/c1-2-6-3-5-7-4-1/h6H,1-5H2 |
| Isomeric SMILES | C1CNCCOC1 |
| UN Number | 2920 |
| Packing Group | II |
| Molecular Weight | 101.149 |
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 | Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Para-oxazepine - Oxacycle - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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 |
| Sensitivity | light sensitive |
|---|---|
| Boil Point(°C) | 152°C |
| Molecular Weight | 101.150 g/mol |
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 101.084 Da |
| Monoisotopic Mass | 101.084 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 47.300 |
| 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 |
K2504500