| CAS Number | 1354960-23-8 |
| Catalog Number | AG019RKA(AGN-PC-0WOSP6) |
| Chemical Name | 3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid dihydrochloride |
| IUPAC Name | 3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C8H14N2O2.2ClH/c9-8(7(11)12)5-10-3-1-6(8)2-4-10;;/h6H,1-5,9H2,(H,11,12);2*1H |
| InChI Key | UKLLGPQXKKACOS-UHFFFAOYSA-N |
| MDL Number | MFCD20441628 |
| Molecular Formula | C8H16Cl2N2O2 |
| Molecular Weight | 243.1308 |
| SMILES | Cl.Cl.NC1(C(O)=O)C2CCN(CC2)C1 |
| Synonyms | 3-amino-1-azabicyclo[2.2.2]octane-3-carboxylic acid dihydrochloride,
1354960-23-8,
AKOS026742610,
MCULE-2884053293,
NE38356,
EN300-89872,
Z1262398492,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.128g/mol |
| Monoisotopic Mass | 242.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number