≥97% 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.
| Sonrisas canónicas | CC1=CC(=NC(=N1)N=C(N)NC2=C(C=CC(=C2)Cl)OC)C |
|---|---|
| IUPAC Name | 1-(5-chloro-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine |
| InChIKey | PKPRNQDECQXHQO-UHFFFAOYSA-N |
| INCHI | 1S/C14H16ClN5O/c1-8-6-9(2)18-14(17-8)20-13(16)19-11-7-10(15)4-5-12(11)21-3/h4-7H,1-3H3,(H3,16,17,18,19,20) |
| Isómeros SMILES | CC1=CC(=NC(=N1)/N=C(\N)/NC2=C(C=CC(=C2)Cl)OC)C |
| PubChem CID | 9586762 |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxyanilines |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxyaniline - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Guanidine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group. |
| External Descriptors | Not available |
| Peso molecular | 305.760 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 305.104 Da |
| Monoisotopic Mass | 305.104 Da |
| Topological Polar Surface Area | 85.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
