| CAS Number | 182137-54-8 |
| Catalog Number | AG01BJKL |
| Chemical Name | tert-Butyl 1-formyl-7-azabicyclo[2.2.1]heptane-7-carboxylate |
| IUPAC Name | tert-butyl 1-formyl-7-azabicyclo[2.2.1]heptane-7-carboxylate |
| InChI | InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-9-4-6-12(13,8-14)7-5-9/h8-9H,4-7H2,1-3H3 |
| InChI Key | VXQSWSMWTQIFRD-UHFFFAOYSA-N |
| MDL Number | MFCD24466784 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | O=C(N1C2(C=O)CCC1CC2)OC(C)(C)C |
| Synonyms | Tert-butyl 1-formyl-7-azabicyclo[2.2.1]heptane-7-carboxylate,
182137-54-8,
SCHEMBL2123562,
VXQSWSMWTQIFRD-UHFFFAOYSA-N,
CID10704398,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number