5-(6-Amino-9H-purin-9-yl)pentanenitrile
5-(6-aminopurin-9-yl)pentanenitrile
Also Known As: 5-(6-Amino-9H-purin-9-yl)pentanenitrile|5-(6-aminopurin-9-yl)pentanenitrile|9-<4-Cyan-butyl>-adenin|NCIOpen2_004138|6-amino-9H-Purine-9-pentanenitrile|5-(6-aminopurin-9-yl)pentannitrile|9H-Purine-9-pentanenitrile,6-amino-|9H-PURINE-9-VALERONITRILE, 6-AMINO-|9H-PURINE-9-PENTANENITRILE, 6-AMINO-
CAS: 82222-85-3
| Molecular Formula | C10H12N6 |
|---|---|
| Molecular Weight | 216.11235 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.11235 |
| Monoisotopic Mass | 216.11235 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 82222-85-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)CCCCC#N)N |
| InChIKey | LWZINUSWGACPKM-UHFFFAOYSA-N |
Product Overview
5-(6-Amino-9H-purin-9-yl)pentanenitrile (CAS 82222-85-3), with molecular formula C10H12N6 and molecular weight 216.11235 g/mol. IUPAC: 5-(6-aminopurin-9-yl)pentanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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