| CAS Number | 1864053-28-0 |
| Catalog Number | AG01BAMB |
| Chemical Name | tert-butyl 2-(azepan-4-yl)acetate |
| IUPAC Name | tert-butyl 2-(azepan-4-yl)acetate |
| InChI | InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-10-5-4-7-13-8-6-10/h10,13H,4-9H2,1-3H3 |
| InChI Key | JIKUZTNTAQWSLL-UHFFFAOYSA-N |
| MDL Number | MFCD29033755 |
| Molecular Formula | C12H23NO2 |
| Molecular Weight | 213.3165 |
| SMILES | CC(OC(CC1CCNCCC1)=O)(C)C |
| Synonyms | tert-butyl 2-(azepan-4-yl)acetate,
1864053-28-0,
EN300-209830,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.321g/mol |
| Monoisotopic Mass | 213.173g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number