| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 8 | Yes |
Popular Name: 1,4-Diazabicyclo[2.2.2]octane 1,4-Diazabicyclo[2.2.2]octane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 137203-34-0 , 159269-48- , 159269-48-4 , 280-57-9 , 76-05-1 , [76-05-1]
"1,4-Diazabicyclo[2.2.2]octane, 97%"
1,4-diaza-bicyclo[2.2.2]octane
1,4-Diazabicyclo [2.2.2] octane
1,4-Diazabicyclo[2.2.2]octane, 97%
1,4-Diazabicyclo[2.2.2]octane, 98%
1,4-Diazoniabicyclo[2.2.2]octane, 1-fluoro-4-methyl-, tetrafluoroborate(1-) (1:2)
Bis(trimethylaluminum)-1,4-diazabicyclo[2.2.2]octane adduct
| 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) | 0.10 | 1.32 | -33.62 | 1 | 2 | 1 | 8 | 113.184 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.10 | -1.16 | -1.45 | 0 | 2 | 0 | 6 | 112.176 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 155 | TCI |
| Mp [°C] | 155 - 160 | Acros Organics |
| Melting_Point | 155-160? | Alfa-Aesar |
| Melting_Point | 155-160° | Alfa-Aesar |
| MP | 156-159° | Oakwood Chemical |
| BP [°C] | 174 | Acros Organics |
| Boiling_Point | 174-176? | Alfa-Aesar |
| Boiling_Point | 174-176° | Alfa-Aesar |
| BP | 174° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H228: Flammable solid | Acros Organics |
| H phrase | H228: Flammable solid; H302: Harmful if swallowed; H315: Causes skin irritation; H318: Causes serious eye damage | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R22: Harmful if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes. | Acros Organics |
| S phrase | S3: Keep in a cool place. | Acros Organics |
