| CAS Number | 38698-16-7 |
| Catalog Number | AG01DWE9 |
| Chemical Name | tert-butyl (1r,4r)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl 4-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C12H23NO2.ClH/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10;/h9-10H,4-8,13H2,1-3H3;1H |
| InChI Key | VMJOMRRCIRCARV-UHFFFAOYSA-N |
| MDL Number | MFCD31629544 |
| Molecular Formula | C12H24ClNO2 |
| Molecular Weight | 249.7775 |
| SMILES | Cl.CC(OC([C@@H]1CC[C@@H](CN)CC1)=O)(C)C |
| Synonyms | tert-butyl (1R,4R)-4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride, trans,
38698-16-7,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.779g/mol |
| Monoisotopic Mass | 249.15g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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