| CAS Number | 2138031-00-0 |
| Catalog Number | AG01EJOX |
| Chemical Name | {4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanamine |
| IUPAC Name | (4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine |
| InChI | InChI=1S/C7H13NO/c1-6-2-7(3-6,4-8)9-5-6/h2-5,8H2,1H3 |
| InChI Key | CEAFNAZSKXWJNK-UHFFFAOYSA-N |
| MDL Number | MFCD31559483 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | C[C@]12CO[C@@](C1)(CN)C2 |
| Synonyms | {4-methyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanamine,
2138031-00-0,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number