| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 1st, 2009 | 13 | Yes |
Popular Name: 6-tert-butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile 6-tert-butyl-2-oxo-1,2-dihydropy…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4138-19-6 , [4138-19-6]
| 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) | 1.85 | 4.24 | -14.93 | 1 | 3 | 0 | 57 | 176.219 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 3.17 | -40.41 | 0 | 3 | -1 | 60 | 175.211 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 194 - 196 | KeyOrganics |
| MP | 194-196° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
