| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 7 | Yes |
Popular Name: 2-Piperidone 2-Piperidone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 675-20-7 , [675-20-7]
| 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) | 0.33 | 0.9 | -7.08 | 1 | 2 | 0 | 29 | 99.133 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 255-257? | Alfa-Aesar |
| Boiling_Point | 255-257° | Alfa-Aesar |
| BP [°C] | 256 - 262 | Acros Organics |
| BP | 256° | Oakwood Chemical |
| Mp [°C] | 35 - 39 | Acros Organics |
| Melting_Point | 35-39? | Alfa-Aesar |
| Melting_Point | 35-39° | Alfa-Aesar |
| MP | 38 - 40 | Enamine Building Blocks |
| MP | 38-40° | Oakwood Chemical |
| MP | 38...40 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0528369A2; EP0528369A3; EP0528369B1; US5455348 | IBM Patent Data |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| UniProt Database Links | MER_ERYCB | ChEBI |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and | Acros Organics |
| R phrase | R36/37: Irritating to eyes and respiratory system. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.