| CAS Number | 1779476-17-3 |
| Catalog Number | AG01DVTQ |
| Chemical Name | tert-butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate |
| IUPAC Name | tert-butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate |
| InChI | InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-8(14)7(11)6-13/h7H,4-6,11H2,1-3H3,(H,12,14) |
| InChI Key | YTQYEGYJKBWVBV-UHFFFAOYSA-N |
| MDL Number | MFCD28641865 |
| Molecular Formula | C10H19N3O3 |
| Molecular Weight | 229.2762 |
| SMILES | CC(OC(N1CC(N)C(=O)NCC1)=O)(C)C |
| Synonyms | tert-butyl 6-amino-5-oxo-1,4-diazepane-1-carboxylate,
1779476-17-3,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.28g/mol |
| Monoisotopic Mass | 229.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number