| CAS Number | 1228453-28-8 |
| Catalog Number | AG00HH1E(AGN-PC-0WQVLB) |
| Chemical Name | Tert-butyl 4-amino-5-methylazepane-1-carboxylate |
| IUPAC Name | tert-butyl 4-amino-5-methylazepane-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-9-5-7-14(8-6-10(9)13)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3 |
| InChI Key | LXHKJNUHNLXPDI-UHFFFAOYSA-N |
| MDL Number | MFCD27997439 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | NC1CCN(CCC1C)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-amino-5-methylazepane-1-carboxylate,
1228453-28-8,
SCHEMBL2376108,
MFCD27997439,
CS-0035768,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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