Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ 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.
| Canonical Smiles | COc1cc(OC)cc(c1)N(c1ccc2c(c1)nc(cn2)c1cnn(c1)C)CCNC(C)C |
|---|---|
| IUPAC Name | N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine |
| InChIKey | OLAHOMJCDNXHFI-UHFFFAOYSA-N |
| INCHI | 1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3 |
| Isomeric SMILES | CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC |
| PubChem CID | 67462786 |
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 | Quinoxalines Dimethoxybenzenes Methoxyanilines Aminophenyl ethers Phenoxy compounds Anisoles Alkyl aryl ethers Pyrazines Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alkyldiarylamine - Diazanaphthalene - Quinoxaline - Dimethoxybenzene - M-dimethoxybenzene - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrazine - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - 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 |
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| Molecular Weight | 446.500 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 446.243 Da |
| Monoisotopic Mass | 446.243 Da |
| Topological Polar Surface Area | 77.300 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 583.000 |
| 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 |
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