| CAS Number | 1440961-03-4 |
| Catalog Number | AG01B4GS |
| Chemical Name | tert-Butyl 3-formylazepane-1-carboxylate |
| IUPAC Name | tert-butyl 3-formylazepane-1-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-7-5-4-6-10(8-13)9-14/h9-10H,4-8H2,1-3H3 |
| InChI Key | UQFCEVAYWBVYJX-UHFFFAOYSA-N |
| MDL Number | MFCD24857238 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | O=C(OC(C)(C)C)N1CCCCC(C=O)C1 |
| Synonyms | tert-Butyl 3-formylazepane-1-carboxylate,
1440961-03-4,
SCHEMBL16039992,
CS-0078565,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number