| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 16 | Yes |
Popular Name: 6-Benzyl-octahydropyrrolo[3,4-b]pyridine 6-Benzyl-octahydropyrrolo[3,4-b]…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1196146-96-9 , 128740-14-7 , 151213-39-7 , [128740-14-7]
(4aS,7aS)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine
1H-Pyrrolo[3,4-b]pyridine,octahydro-6-(phenylmethyl)-
6-Benzyl-1H-octahydropyrrolo[3,4-b]pyridine
6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine
6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine
6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine 2HCl
6-Benzyl-octahydro-pyrrolo[3,4-b]pyridine dihydrochloride
6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine
| 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) | 2.15 | 6.04 | -34.82 | 2 | 2 | 1 | 16 | 217.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 4.93 | -38.63 | 2 | 2 | 1 | 20 | 217.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 6.43 | 11.26 | -5.23 | 0 | 2 | 0 | 18 | 324.464 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
