≥98% 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 | CC1=CC(=NN1CC2=CC=CC(=C2)CN)C.Cl.Cl |
|---|---|
| IUPAC Name | [3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine;dihydrochloride |
| InChIKey | XBDGUHWJFPCWSA-UHFFFAOYSA-N |
| INCHI | 1S/C13H17N3.2ClH/c1-10-6-11(2)16(15-10)9-13-5-3-4-12(7-13)8-14;;/h3-7H,8-9,14H2,1-2H3;2*1H |
| Isomeric SMILES | CC1=CC(=NN1CC2=CC=CC(=C2)CN)C.Cl.Cl |
| PubChem CID | 42937509 |
| Molecular Weight | 288.21 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylmethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylmethylamines |
| Alternative Parents | Benzylamines Aralkylamines Pyrazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylamine - Phenylmethylamine - Aralkylamine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Organoheterocyclic compound - Primary amine - Amine - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. |
| External Descriptors | Not available |
| Molecular Weight | 288.210 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 287.096 Da |
| Monoisotopic Mass | 287.096 Da |
| Topological Polar Surface Area | 43.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 219.000 |
| 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 |
