≥97%(HPLC) 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.
Maximum Absorption Wavelength:519(MeOH)nm
| Canonical Smiles | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)O |
|---|---|
| IUPAC Name | 2-[3-(ethylamino)-6-ethylimino-2,7-dimethylxanthen-9-yl]benzoic acid |
| InChIKey | ZTKQHJHANLVEBM-UHFFFAOYSA-N |
| INCHI | 1S/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27H,5-6H2,1-4H3,(H,29,30) |
| Isomeric SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=NCC)C=C3O2)C)C4=CC=CC=C4C(=O)O |
| PubChem CID | 65206 |
| Molecular Weight | 414.51 |
| Reaxy-Rn | 1670174 |
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 |
| Direct Parent | Xanthenes |
| Alternative Parents | Benzoic acids Benzoyl derivatives Secondary alkylarylamines Secondary ketimines Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Xanthene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Amino acid - Amino acid or derivatives - Oxacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. |
| External Descriptors | Not available |
| Melt Point(°C) | 299 °C |
|---|---|
| Molecular Weight | 414.500 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 414.194 Da |
| Monoisotopic Mass | 414.194 Da |
| Topological Polar Surface Area | 70.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 838.000 |
| 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 |
