Determine the necessary mass, volume, or concentration for preparing a solution.
≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
| Canonical Smiles | CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl.Cl |
|---|---|
| IUPAC Name | 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride |
| InChIKey | SVKSJUIYYCQZEC-UHFFFAOYSA-N |
| INCHI | 1S/C20H25ClN2O.ClH/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23;/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3;1H |
| Isomeric SMILES | CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl.Cl |
| PubChem CID | 16760284 |
| Molecular Weight | 381.34 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzoxazines |
| Subclass | Phenoxazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-substituted phenoxazines |
| Alternative Parents | Alkyldiarylamines Diarylethers Benzenoids Aryl chlorides Quaternary ammonium salts Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-substituted phenoxazine - Alkyldiarylamine - Diaryl ether - Tertiary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic chloride salt - Amine - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen atom. |
| External Descriptors | Not available |
| Solubility | Solvent:water, Max Conc. mg/mL: 38.13, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 38.13, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 381.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 380.142 Da |
| Monoisotopic Mass | 380.142 Da |
| Topological Polar Surface Area | 15.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 377.000 |
| 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 | 2 |