| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2009 | 15 | Yes |
Popular Name: Ethyl 1-(2-cyanoethyl)isonipecotate Ethyl 1-(2-cyanoethyl)isonipecotate
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CAS Number: 477787-73-8
ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate
ethyl-1-(2-cyanoethyl)isonipecotate
| 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) | 0.81 | 7.39 | -54.42 | 1 | 4 | 1 | 55 | 211.285 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 5.14 | -9.15 | 0 | 4 | 0 | 53 | 210.277 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
