| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | Yes |
Popular Name: 1,9-Nonanediol 1,9-Nonanediol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3937-56-2 , 4944-60-9 , [3937-56-2]
| 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) | 2.12 | -3.62 | -4.81 | 2 | 2 | 0 | 40 | 160.257 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 171 / 20 | TCI |
| BP [°C] | 177 (p=15 torr) | Acros Organics |
| Boiling_Point | 288? | Alfa-Aesar |
| Boiling_Point | 288° | Alfa-Aesar |
| Mp [°C] | 44 - 48 | Acros Organics |
| Melting_Point | 45-48? | Alfa-Aesar |
| Melting_Point | 45-48° | Alfa-Aesar |
| MP | 46 | TCI |
| Purity | 95% | Fluorochem |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.