| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2008 | 17 | Yes |
Popular Name: 3-(4-methylpiperazin-1-ylmethyl)benzoic acid 3-(4-methylpiperazin-1-ylmethyl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1181458-11-6 , 514209-42-8 , 934020-51-6 , [514209-42-8]
"3-(4-Methyl-piperazin-1-ylmethyl)-benzoic acid, 98%"
3-((4-Methylpiperazin-1-yl)methyl)benzoic acid hydrochloride
3-(4-Methyl-piperazin-1-ylmethyl)benzoicacid
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid
3-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride
| 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) | 1.52 | 5.36 | -68.3 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 5.3 | -71.42 | 1 | 4 | 0 | 48 | 234.299 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.52 | 2.9 | -52.73 | 0 | 4 | -1 | 47 | 233.291 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 281 - 283 | Enamine Building Blocks |
| MP | 281...283 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
