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 | CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC6=CC=CC=C6C=C5)C=C3O2 |
|---|---|
| IUPAC Name | N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]naphthalene-2-carboxamide |
| InChIKey | KISNZWYZDRRYKE-UHFFFAOYSA-N |
| INCHI | 1S/C31H25N3O2/c1-3-34(4-2)23-15-16-26-28(18-23)36-29-19-27(24-11-7-8-12-25(24)30(29)32-26)33-31(35)22-14-13-20-9-5-6-10-21(20)17-22/h5-19H,3-4H2,1-2H3 |
| Isomeric SMILES | CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC6=CC=CC=C6C=C5)C=C3O2 |
| Molecular Weight | 471.55 |
| Reaxy-Rn | 43404748 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43404748&ln= |
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 | Phenoxazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenoxazines |
| Alternative Parents | Naphthalenecarboxamides Dialkylarylamines Secondary ketimines Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenoxazine - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Secondary ketimine - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Azacycle - Carboxylic acid derivative - Oxacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenoxazines. These are polycyclic aromatic compounds containing a phenoxazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a 1,4-oxazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 471.500 g/mol |
|---|---|
| XLogP3 | 6.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 471.195 Da |
| Monoisotopic Mass | 471.195 Da |
| Topological Polar Surface Area | 54.300 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 919.000 |
| 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 |
