| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2010 | 9 | Yes |
Popular Name: (3aS,6aS)-1-methyloctahydropyrrolo[3,4-b]pyrrole (3aS,6aS)-1-methyloctahydropyrro…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1234805-59-4 , 1312756-38-9 , 877212-98-1 , N/A , [1312756-38-9]
(3aR,6aR)-rel-Octahydro-1-methylpyrrolo[3,4-b]pyrrole
(3aS,6aS)-1-Methyl-hexahydro-2H-pyrrolo[2,3-c]pyrrole
(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole
(3aS,6aS)-1-Methyl-hexahydropyrrolo[3,4-b]pyrrole Dihydrochloride
(3aS,6aS)-1-methyloctahydropyrrolo[3,4-b]pyrrole dihydrochloride
DL-(3aS,6aS)-1-methyl-hexahydropyrrolo[3,4-b]pyrrole
rac-(3aS,6aS)-1-methyloctahydropyrrolo[3,4-b]pyrrole
rac-(3aS,6aS)-1-methyloctahydropyrrolo[3,4-b]pyrrole dihydrochloride
| 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) | 0.48 | 0.9 | -36.35 | 2 | 2 | 1 | 20 | 127.211 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 1.76 | -31.42 | 2 | 2 | 1 | 16 | 127.211 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | -0.51 | -1.32 | 1 | 2 | 0 | 15 | 126.203 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
