≥98%(HPLC) 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 | CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1 |
|---|---|
| IUPAC Name | tert-butyl N-[2-[[3-(4-carbamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]ethyl]-N-methylcarbamate |
| InChIKey | YNQNYIHMAZLJAV-UHFFFAOYSA-N |
| INCHI | 1S/C21H26N6O3/c1-21(2,3)30-20(29)26(4)12-11-23-17-9-10-18-24-13-16(27(18)25-17)14-5-7-15(8-6-14)19(22)28/h5-10,13H,11-12H2,1-4H3,(H2,22,28)(H,23,25) |
| Isomeric SMILES | CC(C)(C)OC(=O)N(C)CCNC1=NN2C(=NC=C2C3=CC=C(C=C3)C(=O)N)C=C1 |
| Molecular Weight | 410.47 |
| Reaxy-Rn | 24089551 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24089551&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 | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Benzamides Benzoyl derivatives Aminopyridazines N-substituted imidazoles Imidolactams Heteroaromatic compounds Carbamate esters Primary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyridazine - Imidolactam - Benzenoid - Pyridazine - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Carbamic acid ester - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 20.52, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 410.500 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 410.207 Da |
| Monoisotopic Mass | 410.207 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 602.000 |
| 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 |
