| CAS Number | 2138006-50-3 |
| Catalog Number | AG01EJMT |
| Chemical Name | {2-oxabicyclo[2.2.2]octan-1-yl}methanamine |
| IUPAC Name | 2-oxabicyclo[2.2.2]octan-1-ylmethanamine |
| InChI | InChI=1S/C8H15NO/c9-6-8-3-1-7(2-4-8)5-10-8/h7H,1-6,9H2 |
| InChI Key | IKVQJSYMPFEWBF-UHFFFAOYSA-N |
| MDL Number | MFCD31457164 |
| Molecular Formula | C8H15NO |
| Molecular Weight | 141.2108 |
| SMILES | NCC12OCC(CC1)CC2 |
| Synonyms | {2-oxabicyclo[2.2.2]octan-1-yl}methanamine,
2138006-50-3,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.214g/mol |
| Monoisotopic Mass | 141.115g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number