| CAS Number | 1782700-60-0 |
| Catalog Number | AG01DYX6 |
| Chemical Name | tert-Butyl 6-oxodecahydroisoquinoline-2-carboxylate |
| IUPAC Name | tert-butyl 6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carboxylate |
| InChI | InChI=1S/C14H23NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h10-11H,4-9H2,1-3H3 |
| InChI Key | MNWQGQXNDLLERG-UHFFFAOYSA-N |
| MDL Number | MFCD24533320 |
| Molecular Formula | C14H23NO3 |
| Molecular Weight | 253.3373 |
| SMILES | O=C1CC2CCN(CC2CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 6-oxo-decahydroisoquinoline-2-carboxylate,
1782700-60-0,
AKOS022981465,
CID10879620,
Tert-butyl 6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carboxylate,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.342g/mol |
| Monoisotopic Mass | 253.168g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number