| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 11 | Yes |
Popular Name: Pentylbenzene Pentylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 538-68-1 , [538-68-1]
| 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) | 4.31 | 2.04 | -1.55 | 0 | 0 | 0 | 0 | 148.249 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 75 | TCI |
| MP | 75 - -73 | Enamine Building Blocks |
| MP | 75 - -75 | Enamine Building Blocks |
| Melting_Point | 75? | Alfa-Aesar |
| Melting_Point | 75° | Alfa-Aesar |
| MP | 76 - -75 | Enamine Building Blocks |
| MP | 77 - -75 | Enamine Building Blocks |
| MP | 77...-75 | Enamine Building Blocks |
| Boiling_Point | 204-205? | Alfa-Aesar |
| Boiling_Point | 204-205° | Alfa-Aesar |
| BP | 205 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.