| CAS Number | 1935424-98-8 |
| Catalog Number | AG01C334 |
| Chemical Name | (2-Oxabicyclo[2.1.1]hexan-1-yl)methanamine |
| IUPAC Name | 2-oxabicyclo[2.1.1]hexan-1-ylmethanamine |
| InChI | InChI=1S/C6H11NO/c7-4-6-1-5(2-6)3-8-6/h5H,1-4,7H2 |
| InChI Key | PNBUAUKWRXPJFK-UHFFFAOYSA-N |
| MDL Number | MFCD30497460 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | NCC12CC(CO2)C1 |
| Synonyms | 1935424-98-8,
ZINC307123753,
{2-oxabicyclo[2.1.1]hexan-1-yl}methanamine,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number