| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 7 | Yes |
Popular Name: 1,5-Pentanediol 1,5-Pentanediol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111-29-5 , 36840-85-4 , 629-30-1 , 6963-44-6 , [629-30-1]
| 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) | 0.10 | -2.22 | -5.07 | 2 | 2 | 0 | 40 | 104.149 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.318 | Bitter DB |
| Melting_Point | 16? | Alfa-Aesar |
| Melting_Point | 16° | Alfa-Aesar |
| Mp [°C] | 18 | Acros Organics |
| BP | 239 | TCI |
| Boiling_Point | 241-242? | Alfa-Aesar |
| Boiling_Point | 241-242° | Alfa-Aesar |
| BP [°C] | 242 | Acros Organics |
| BP | 242° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.