| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 18 | Yes |
Popular Name: 3-[4-(4-methylpiperazino)phenyl]-3-oxopropanenitrile 3-[4-(4-methylpiperazino)phenyl]…
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CAS Numbers: 1135282-83-5 , N/A
3-(4-(4-Methylpiperazin-1-yl)phenyl)-3-oxopropanenitrile
| 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) | 0.91 | 6.64 | -55.36 | 1 | 4 | 1 | 49 | 244.318 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.91 | 4.17 | -15.97 | 0 | 4 | 0 | 47 | 243.31 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 138 - 140 | KeyOrganics |
| MP | 138-140° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
