Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| pKa | pKa: 10.32 |
|---|
| Pubchem Sid | 504753609 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753609 |
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F |
| IUPAC Name | 9-[(2-chloro-6-fluorophenyl)methyl]purin-6-amine |
| InChIKey | NAPNOSFRRMHNBJ-UHFFFAOYSA-N |
| INCHI | 1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17) |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=CN=C32)N)F |
| Molecular Weight | 277.69 |
| Reaxy-Rn | 827813 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=827813&ln= |
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 |
| Class | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 6-aminopurines |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-aminopurine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Primary amine - Amine - Organopnictogen 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 |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 02, 2025 | A345296 | |
| Certificate of Analysis | Apr 02, 2025 | A345296 | |
| Certificate of Analysis | Apr 02, 2025 | A345296 | |
| Certificate of Analysis | Apr 02, 2025 | A345296 | |
| Certificate of Analysis | Apr 02, 2025 | A345296 | |
| Certificate of Analysis | Apr 12, 2024 | A345296 |
| Solubility | Soluble in DMSO, and water (58 mg/L) at 25 °C. |
|---|---|
| Sensitivity | heat sensitive;Air sensitive |
| Refractive Index | n20D1.73 |
| Boil Point(°C) | 504.6° C at 760 mmHg |
| Melt Point(°C) | 242-244° C (dec.) |
| Molecular Weight | 277.680 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 277.053 Da |
| Monoisotopic Mass | 277.053 Da |
| Topological Polar Surface Area | 69.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 320.000 |
| 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 |