≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
| ALogP | 2.7 |
|---|
| Canonical Smiles | CC(C)(C)OC(=O)N1CCC(CC1)N2C3C(=CC=CC=3)COC2=O |
|---|---|
| IUPAC Name | tert-butyl 4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate |
| InChIKey | XJVWIJJRQGZWEZ-UHFFFAOYSA-N |
| INCHI | 1S/C18H24N2O4/c1-18(2,3)24-16(21)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-23-17(20)22/h4-7,14H,8-12H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCC(CC1)N2C3=CC=CC=C3COC2=O |
| Molecular Weight | 332.39 |
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 | Benzoxazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazines |
| Alternative Parents | Piperidinecarboxylic acids Benzenoids Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazine - Piperidinecarboxylic acid - Benzenoid - Piperidine - Carbamic acid ester - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). |
| External Descriptors | Not available |
| Molecular Weight | 332.400 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 332.174 Da |
| Monoisotopic Mass | 332.174 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 480.000 |
| 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 |
A2616444