| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 6 | Yes |
Popular Name: 4-PENTEN-2-OL 4-PENTEN-2-OL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 55563-79-6 , 625-31-0 , 64584-92-5
| 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) | 0.96 | 0.95 | -2.2 | 1 | 1 | 0 | 20 | 86.134 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 115 - 116 | Acros Organics |
| Boiling_Point | 115-116? | Alfa-Aesar |
| Boiling_Point | 115-116° | Alfa-Aesar |
| BP | 116 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P403 + P233: Store in a well-ventilated place. Keep container tightly closed; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.