| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 11 | Yes |
Popular Name: 2-Adamantanone 2-Adamantanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 700-58-3 , [700-58-3]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.27 | 5.71 | -4.95 | 0 | 1 | 0 | 17 | 150.221 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 125 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 257°(subl.) | Matrix Scientific |
| Mp [°C] | 282 - 286 | Acros Organics |
| mp | 286 | MolMall (formerly Molecular Diversity Preservation International) |
| ALOGPS_SOLUBILITY | 3.35e-01 g/l | DrugBank-experimental |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 99.0% | APIChem |
| Melting_Point | ca 257? subl. | Alfa-Aesar |
| Melting_Point | ca 257° subl. | Alfa-Aesar |
| Patent Database Links | EP1081150; EP1331216; WO2005034857 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
