| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 16 | Yes |
Popular Name: (S,S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane, 97% (S,S)-3-Benzyl-1,4-diazabicyclo[…
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CAS Number: 816429-58-0
(3S,6S)-3-Benzyl-1,4-diazabicyclo[4.3.0]nonane
(S, S)-3-Benzyl-octahydro-pyrrolo[1,2-a]pyrazine
| 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) | 2.17 | 5.81 | -35.27 | 2 | 2 | 1 | 20 | 217.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 6.53 | -31.97 | 2 | 2 | 1 | 16 | 217.336 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.17 | 4.57 | -1.86 | 1 | 2 | 0 | 15 | 216.328 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 101-103?/1mm | Alfa-Aesar |
| Boiling_Point | 101-103°/1mm | Alfa-Aesar |
