≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45 |
|---|---|
| IUPAC Name | 2-oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene |
| InChIKey | XLBPYZGSLNDDSB-UHFFFAOYSA-N |
| INCHI | 1S/C20H19N3O/c24-23-18(13-22-11-4-1-5-12-22)21-17-10-6-9-15-14-7-2-3-8-16(14)20(23)19(15)17/h2-3,6-10H,1,4-5,11-13H2 |
| Isomeric SMILES | C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45 |
| Alternate CAS | 5358-76-9 |
| PubChem CID | 3246550 |
| NSC Number | 194598 |
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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinazolines |
| Alternative Parents | Aralkylamines Pyrimidines and pyrimidine derivatives Piperidines Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazoline - Aralkylamine - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 317.400 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 317.153 Da |
| Monoisotopic Mass | 317.153 Da |
| Topological Polar Surface Area | 41.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 452.000 |
| 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 |
![Indeno[1,2,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1-oxide - ≥98% CAS No(5358-76-9) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/I/9/I961110.jpg)