| CAS Number | 6238-34-2 |
| Catalog Number | AG00EG77(AGN-PC-0NJUCD) |
| Chemical Name | Quinuclidine-3-carboxylic acid hydrochloride |
| IUPAC Name | 1-azabicyclo[2.2.2]octane-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H13NO2.ClH/c10-8(11)7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2,(H,10,11);1H |
| InChI Key | LXHNHXQYRPDFPN-UHFFFAOYSA-N |
| MDL Number | MFCD00509584 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | O=C(C1CN2CCC1CC2)O.[H]Cl |
| Synonyms | Quinuclidine-3-carboxylic acid hydrochloride,
6238-34-2,
SCHEMBL5105833,
SCHEMBL15329139,
DTXSID00506436,
LXHNHXQYRPDFPN-UHFFFAOYSA-N,
MFCD00509584,
AKOS000425104,
AKOS016844365,
MCULE-4064016827,
SC-48175,
3-quinuclidinecarboxylic acid hydrochloride,
DB-083275,
FT-0711491,
1-azabicyclo[2.2.2]octane-3-carboxylic acid hydrochloride,
1-Azabicyclo[2.2.2]octane-3-carboxylic acid, hydrochloride,
1-Azabicyclo[2.2.2]octane-3-carboxylic acid--hydrogen chloride (1/1),
|
| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number