| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 24 | Yes |
Popular Name: Quinine, anhydrous, 99% (total base), may cont. up to 5% dihydroquinine Quinine, anhydrous, 99% (total b…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 130-95-0 , 6119-47-7 , [60-93-5] , [6119-47-7]
(R)(6-methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanol hydrochloride dihydrate
| 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) | 3.06 | 7.18 | -40.05 | 2 | 4 | 1 | 47 | 325.432 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.09 | 5.57 | -100.03 | 7 | 8 | 2 | 126 | 405.506 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.06 | 7.62 | -89.55 | 3 | 4 | 2 | 48 | 326.44 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | ca 177? dec. | Alfa-Aesar |
| Melting_Point | ca 177° dec. | Alfa-Aesar |
