| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 7th, 2006 | 10 | Yes |
Popular Name: 3-(2-Methyl-1H-imidazol-1-yl)propanenitrile 3-(2-Methyl-1H-imidazol-1-yl)pro…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23996-55-6 , 23996-57-8 , [23996-55-6]
| 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) | -0.46 | 5.03 | -11.08 | 0 | 3 | 0 | 42 | 135.17 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.46 | 5.49 | -37.94 | 1 | 3 | 1 | 43 | 136.178 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 57 | TCI |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
