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.
| ALogP | 1.8 |
|---|
| Canonical Smiles | CCCCC1=NC2=C(N=C(N2C)N2N=CC=N2)C(N)=N1 |
|---|---|
| IUPAC Name | 2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine |
| InChIKey | CYYQMAWUIRPCNW-UHFFFAOYSA-N |
| INCHI | 1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17) |
| Isomeric SMILES | CCCCC1=NC(=C2C(=N1)N(C(=N2)N3N=CC=N3)C)N |
| Alternate CAS | 496955-42-1 |
| PubChem CID | 9860294 |
| MeSH Entry Terms | 2-n-butyl-9-methyl-8-(1,2,3)triazol-2-yl-9H-purin-6-ylamine;ST 1535;ST-1535;ST1535 |
| Molecular Weight | 272.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 6-aminopurines |
| Alternative Parents | Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Triazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-aminopurine - Aminopyrimidine - Imidolactam - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - 1,2,3-triazole - Imidazole - Azacycle - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
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| Molecular Weight | 272.310 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 272.15 Da |
| Monoisotopic Mass | 272.15 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| 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 |
