≥99% 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.
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| Canonical Smiles | CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C.Cl.Cl |
|---|---|
| IUPAC Name | 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine;dihydrochloride |
| InChIKey | ZZVWCKAYZSAUKR-UHFFFAOYSA-N |
| INCHI | 1S/C16H19N5O.2ClH/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2;;/h3-6,11H,7-10H2,1-2H3;2*1H |
| Isomeric SMILES | CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C.Cl.Cl |
| PubChem CID | 159976 |
| Molecular Weight | 370.28 |
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 | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines - Tertiary alkylarylamines |
| Direct Parent | Alkyldiarylamines |
| Alternative Parents | N-arylpiperazines Diarylethers Dialkylarylamines N-methylpiperazines Aminopyridazines Imidolactams Benzenoids Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Alkyldiarylamine - Diaryl ether - Dialkylarylamine - Aminopyridazine - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Pyridazine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Oxacycle - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Hydrochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino group. |
| External Descriptors | Not available |
| Solubility | DMSO |
|---|---|
| Molecular Weight | 370.300 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 369.112 Da |
| Monoisotopic Mass | 369.112 Da |
| Topological Polar Surface Area | 44.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| 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 | 3 |
