compound introduction
奎宁环是喹啉类化合物的一员，也是饱和的有机杂双环母体。
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1-azabicyclo[2.2.2]octane
Dangerous GoodsCAS number：100-76-5 molecular formula：C7H13N
overview
Specs
| Chinese alias | 1-氮杂双环[2.2.2]辛烷 | ||
| English alias | ABCO | AMY22548 | ABCO | 1-Azabicyclo(2.2.2)octane | 1-Azoniabicyclo[2.2.2]Octane | FT-0631529 | BRD-K84257395-001-01-1 | InChI=1/C7H13N/c1-4-8-5-2-7(1)3-6-8/h7H,1-6H | QUINUCLIDINE | PDSP1_000405 | SCHEMBL18960 | SCHEMBL11328296 | A903281 | MFCD00006690 | ||
| CAS number | 100-76-5 | molecular formula | C7H13N |
| molecular weight | 111.18 | Exact mass | ≥97% |
| PSA | 3.2 | logp | 1.4 |
numbering system
| CAS | 100-76-5 |
| UNII | XFX99FC5VI |
| HMDB ID | HMDB0257057 |
| ChEBI ID | 38420 |
| Wikidata | Q1864086 |
| ChEMBL ID | CHEMBL1209648 |
| Wikipedia | Quinuclidine |
| PubChem CID | 7527 |
| Nikkaji Number | J108.948J |
| DSSTox Substance ID | DTXSID2057607 |
| Metabolomics Workbench ID | 55856 |
| European Community (EC) Number | 202-887-1 |
| PubChem Reference Collection SID | 500821784 |
physicochemical properties
| XLogP3 | 1.4 |
| Complexity | 71.4 |
| Exact Mass | 111.104799419 |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Molecular Weight | 111.18 |
| Monoisotopic Mass | 111.104799419 |
| Isotope Atom Count | 0 |
| Rotatable Bond Count | 0 |
| Dissociation Constants | iupacpka |
| Hydrogen Bond Donor Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Topological Polar Surface Area | 3.2 Ų |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
Safety information
Regulatory Information：
The Australian Inventory of Industrial Chemicals: Chemical: 1-Azabicyclo[2.2.2]octane
Hazard Classes and Categories：
Eye Dam. 1 (100%)
Production methods and uses
No production method and use information yet
Related
upstream information
No upstream information yet
downstream information
No downstream information yet
MSDS
Found 1 shareMSDS
100-76-5 | Quinuclidine.pdf
