In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2008 | 11 | No |
Popular Name: 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one 9-Methyl-9-azabicyclo[3.3.1]nona…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28861-13-4 , 552-70-5 , 6164-62-1 , [552-70-5]
123793-33-9; Prestwick_421; Pseudopelletierine hydrochloride
552-70-5; C10865; Pseudopelletierine
9-methyl-9-aza-bicyclo[3.3.1]nonan-3-one
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) | 0.80 | 4.78 | -42.49 | 1 | 2 | 1 | 22 | 154.233 | 0 | ↓ |
Hi High (pH 8-9.5) | 0.80 | 2.67 | -4.54 | 0 | 2 | 0 | 20 | 153.225 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 63-65° | Matrix Scientific |
Purity | 98% | Matrix Scientific |
Warnings | Irritant | Matrix Scientific |