| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 8 | Yes |
Popular Name: 1-Azabicyclo[2.2.1]heptan-3-one 1-Azabicyclo[2.2.1]heptan-3-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122737-66-0 , 21472-89-9 , [122737-66-0] , [21472-89-9]
1-Aza-bicyclo[2.2.1]heptan-3-one
1-Azabicyclo[2.2.1]heptan-3-one hydrochloride
| 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) | -0.12 | 2.76 | -40.03 | 1 | 2 | 1 | 22 | 112.152 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.12 | -0.13 | -4.35 | 0 | 2 | 0 | 20 | 111.144 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0968212A1; EP1021446A1; US6121306; US6121459; WO1998032758A1; WO1998032759A1 | IBM Patent Data |
