| CAS Number | 2126177-04-4 |
| Catalog Number | AG01EHZZ |
| Chemical Name | tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate |
| IUPAC Name | tert-butyl spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate |
| InChI | InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-12-14-6-4-5-7-15(14)22-18(13-20)8-10-19-11-9-18/h4-7,19H,8-13H2,1-3H3 |
| InChI Key | OQGDMOZDAOFOTF-UHFFFAOYSA-N |
| MDL Number | MFCD31381136 |
| Molecular Formula | C18H26N2O3 |
| Molecular Weight | 318.4106 |
| SMILES | CC(OC(N1CC2(CCNCC2)OC2=C(C=CC=C2)C1)=O)(C)C |
| Synonyms | AKOS034066053,
tert-butyl 4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]-4-carboxylate,
2126177-04-4,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.417g/mol |
| Monoisotopic Mass | 318.194g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number