| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: Hexamethylacetone Hexamethylacetone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 815-24-7 , [815-24-7]
| 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) | 2.89 | 2.94 | -5.02 | 0 | 1 | 0 | 17 | 142.242 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 150 - 155 | Acros Organics |
| Boiling_Point | 152-153? | Alfa-Aesar |
| BP | 152-153° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0779293A1; EP0943618A2; US5731445; US5877333 | IBM Patent Data |
| Warnings | FLAMMABLE | Matrix Scientific |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | 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 |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.