| CAS Number | 688790-06-9 |
| Catalog Number | AG006FZ4(AGN-PC-086FDR) |
| Chemical Name | 7-tert-Butyl 2-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate |
| IUPAC Name | 7-O-tert-butyl 2-O-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-8-5-6-10(14)9(7-8)11(15)17-4/h8-10H,5-7H2,1-4H3 |
| InChI Key | ZBESKVIRYNQXCD-UHFFFAOYSA-N |
| MDL Number | MFCD18433536 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | O=C(C1C(N2C(OC(C)(C)C)=O)CCC2C1)OC |
| Synonyms | 7-tert-Butyl 2-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate,
688790-06-9,
endo-7-tert-butyl 2-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate,
197080-73-2,
SCHEMBL5230913,
CTK8B9822,
DTXSID20678240,
ZBESKVIRYNQXCD-UHFFFAOYSA-N,
ANW-63220,
TC-151965,
CS-0036820,
7-O-tert-butyl 2-O-methyl 7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate,
7-O-tert-butyl 2-O-methyl (1S,2S,4R)-7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate,
7-tert-Butyl2-methyl7-azabicyclo[2.2.1]heptane-2,7-dicarboxylate,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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