| CAS Number | 1864053-29-1 |
| Catalog Number | AG01AMNV |
| Chemical Name | tert-butyl 2-(azepan-4-yl)acetate hydrochloride |
| IUPAC Name | tert-butyl 2-(azepan-4-yl)acetate;hydrochloride |
| InChI | InChI=1S/C12H23NO2.ClH/c1-12(2,3)15-11(14)9-10-5-4-7-13-8-6-10;/h10,13H,4-9H2,1-3H3;1H |
| InChI Key | VMTAIBIDAXMIHV-UHFFFAOYSA-N |
| MDL Number | MFCD29033952 |
| Molecular Formula | C12H24ClNO2 |
| Molecular Weight | 249.7775 |
| SMILES | Cl.CC(OC(CC1CCNCCC1)=O)(C)C |
| Synonyms | tert-butyl 2-(azepan-4-yl)acetate hydrochloride,
1864053-29-1,
AKOS027200974,
Z2284395425,
|
| Complexity | 208 |
| 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 | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number