| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 7 | Yes |
Popular Name: Piperazin-2-one Piperazin-2-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24123-06-6 , 5625-67-2 , [5625-67-2]
| 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) | -0.78 | -1.54 | -48.36 | 3 | 3 | 1 | 46 | 101.129 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 123 - 125 | Enamine Building Blocks |
| MP | 123...125 | Enamine Building Blocks |
| Melting_Point | 129-134? | Alfa-Aesar |
| Melting_Point | 129-134° | Alfa-Aesar |
| MP | 134 | TCI |
| MP | 135-137° | Matrix Scientific |
| Mp [°C] | 136 - 140 | Acros Organics |
| BP | 164 / 5 | TCI |
| BP | 165°/5 Torr | Matrix Scientific |
| MP | 201 - 203 | Enamine Building Blocks |
| MP | 201...203 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | CORROSIVE | Matrix Scientific |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.