| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: 2-(4-Methylpiperazin-1-ylmethyl)benzoic acid 2-(4-Methylpiperazin-1-ylmethyl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 514209-40-6 , 915707-44-7 , [514209-40-6]
2-(4-Methyl-piperazin-1-ylmethyl)-benzoic acid
2-(4-methylpiperazin-1-ylmethyl)benzoicacid
lithium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
| 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) | 1.16 | 5.71 | -65.94 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 5.28 | -38.68 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | 3.24 | -53.38 | 0 | 4 | -1 | 47 | 233.291 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 337 - 348.5 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
