| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline 3-Fluoro-4-(4-methylpiperazin-1-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 221198-99-8 , [221198-99-8]
3-Fluoro-4-(4-methyl-1-piperazinyl)aniline
3-Fluoro-4-(4-methyl-1-piperazinyl)benzenamine
3-fluoro-4-(4-methylpiperazin-1-yl)aniline dihydrochloride
3-fluoro-4-(4-methylpiperazino)aniline
benzenamine, 3-fluoro-4-(4-methyl-1-piperazinyl)-
benzenamine, 3-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride
[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine
[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine 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) | 1.10 | 5.11 | -35.53 | 3 | 3 | 1 | 34 | 210.276 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.89 | 11.66 | -17.82 | 1 | 8 | 0 | 118 | 392.367 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.10 | 2.75 | -4.46 | 2 | 3 | 0 | 32 | 209.268 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 87 - 89 | KeyOrganics |
| MP | 87-89° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
