≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65 |
|---|---|
| IUPAC Name | 9'-[ethyl(3-methylbutyl)amino]spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one |
| InChIKey | GNBILJBACCNEAZ-UHFFFAOYSA-N |
| INCHI | 1S/C31H29NO3/c1-4-32(18-17-20(2)3)22-14-15-26-28(19-22)34-27-16-13-21-9-5-6-10-23(21)29(27)31(26)25-12-8-7-11-24(25)30(33)35-31/h5-16,19-20H,4,17-18H2,1-3H3 |
| Molecular Weight | 463.600 |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Dibenzopyrans - Xanthenes |
| Direct Parent | Benzoxanthenes |
| Alternative Parents | Isoflavonoids Naphthopyrans Diarylethers Phthalides Naphthalenes Benzofuranones Isobenzofurans Dialkylarylamines Pyrans Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxanthene - Isoflavonoid - Naphthopyran - Diaryl ether - Benzofuranone - Naphthalene - Isobenzofuranone - Phthalide - Isocoumaran - Isobenzofuran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyran - Benzenoid - Carboxylic acid ester - Amino acid or derivatives - Lactone - Tertiary amine - Carboxylic acid derivative - Ether - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxanthenes. These are organic compounds containing a benzene ring fused to a xanthene ring system. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. |
| External Descriptors | Not available |
| Molecular Weight | 463.600 g/mol |
|---|---|
| XLogP3 | 7.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 463.215 Da |
| Monoisotopic Mass | 463.215 Da |
| Topological Polar Surface Area | 38.800 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 768.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one, 9-[ethyl(3-methylbutyl)amino]- - ≥95% , CAS No.115392-27-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)