| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 6 | Yes |
Popular Name: N-Methylpyrrole N-Methylpyrrole
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-morpholino-ethanone
2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-(4-morpholinyl)ethanone
| 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) | 0.92 | 4.13 | -3.84 | 0 | 1 | 0 | 5 | 81.118 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 57 | Acros Organics |
| Melting_Point | 57? | Alfa-Aesar |
| Melting_Point | 57° | Alfa-Aesar |
| BP [°C] | 111 - 114 | Acros Organics |
| Boiling_Point | 112-113? | Alfa-Aesar |
| Boiling_Point | 112-113° | Alfa-Aesar |
| BP | 113 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0066195A1; EP0075169A1; EP0096657A2; EP0102542A2; EP0152556A1; EP0193013A2; EP0196005A1; EP0204349A2; EP0231996A2; EP0231996B1; EP0263352A1; EP0268178A1; EP0269968A2; EP0292840A2; EP0307034A1; EP0470514A1; EP0470514B1; EP0490224A2; EP0490224B1; EP052737 | IBM Patent Data |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H225: Highly flammable liquid and vapor | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/sparks/open flames/hot surf | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R37/38: Irritating to respiratory system and skin. | 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.; S25: Avoid contact with eyes.; S37: Wear suitable gloves. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.