| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 12 | Yes |
Popular Name: 3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile 3-(4-Methylpiperazin-1-yl)-3-oxo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15029-34-2 , [15029-34-2]
3-(4-Methyl-piperazin-1-yl)-3-oxo-propionitrile
3-(4-methylpiperazino)-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) | -0.99 | 1.67 | -15.98 | 0 | 4 | 0 | 47 | 167.212 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 108 - 109 | KeyOrganics |
| MP | 111-113° | Oakwood Chemical |
| MP | 118 - 120 | Enamine Building Blocks |
| MP | 118...120 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4321381 | IBM Patent Data |
