| CAS Number | 1803597-21-8 |
| Catalog Number | AG01AM38 |
| Chemical Name | tert-butyl (1s)-1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-6-8-4-11(13,5-8)7-12;/h8H,4-7,12H2,1-3H3;1H |
| InChI Key | NIDUHFFUIINMBL-UHFFFAOYSA-N |
| MDL Number | MFCD28968345 |
| Molecular Formula | C11H21ClN2O2 |
| Molecular Weight | 248.7496 |
| SMILES | Cl.CC(OC(N1[C@]2(C[C@H](C2)C1)CN)=O)(C)C |
| Synonyms | tert-butyl 1-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate hydrochloride,
1803597-21-8,
F8888-8734,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.751g/mol |
| Monoisotopic Mass | 248.129g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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