Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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.
| ALogP | 1.4 |
|---|
| Pubchem Sid | 528766799 |
|---|---|
| Kanonisches Lächeln | COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N |
| IUPAC Name | 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile |
| InChIKey | DOTGPNHGTYJDEP-UHFFFAOYSA-N |
| INCHI | 1S/C18H19N7O2/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25) |
| Isomere SMILES | COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N |
| PubChem CID | 46700756 |
| Molekulargewicht | 365.39 |
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 |
| Klasse | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Aminopyrazines Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpyrazole - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aminopyrazine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyrazine - Heteroaromatic compound - Azacycle - Secondary amine - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Primary aliphatic amine - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
| Certificate of Analysis | Oct 26, 2024 | P612922 | |
| Certificate of Analysis | Oct 26, 2024 | P612922 | |
| Certificate of Analysis | Oct 26, 2024 | P612922 | |
| Certificate of Analysis | Oct 26, 2024 | P612922 | |
| Certificate of Analysis | Oct 26, 2024 | P612922 | |
| Certificate of Analysis | Oct 26, 2024 | P612922 |
| Molekulargewicht | 365.400 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 365.16 Da |
| Monoisotopic Mass | 365.16 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 499.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →