| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 12 | Yes |
Popular Name: 4-Methyl-1-piperazinebutanenitrile 4-Methyl-1-piperazinebutanenitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 244291-81-4
| 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) | -0.04 | 4.11 | -40.09 | 1 | 3 | 1 | 31 | 168.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 4.03 | -45.9 | 1 | 3 | 1 | 31 | 168.264 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.04 | 1.64 | -7.49 | 0 | 3 | 0 | 30 | 167.256 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
