| CAS Number | 1034912-28-1 |
| Catalog Number | AG0093P4(AGN-PC-0NVKZ4) |
| Chemical Name | (1R,4S)-tert-Butyl 2-azabicyclo[2.2.1]heptane-2-carboxylate |
| IUPAC Name | tert-butyl (1R,4S)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C11H19NO2/c1-11(2,3)14-10(13)12-7-8-4-5-9(12)6-8/h8-9H,4-7H2,1-3H3/t8-,9+/m0/s1 |
| InChI Key | AJYDSJWVRJUFMI-DTWKUNHWSA-N |
| MDL Number | MFCD13152026 |
| Molecular Formula | C11H19NO2 |
| Molecular Weight | 197.2741 |
| SMILES | O=C(OC(C)(C)C)N1C[C@H]2CC[C@@H]1C2 |
| Synonyms | 1034912-28-1,
N-Boc-(1R,4S)-2-Aza-bicyclo[2.2.1]heptane,
(1R,4S)-tert-Butyl 2-azabicyclo[2.2.1]heptane-2-carboxylate,
tert-Butyl (1R,4S)-2-azabicyclo[2.2.1]heptane-2-carboxylate,
SCHEMBL12842007,
DTXSID20693857,
ZINC40442511,
AKOS015904350,
FCH3878315,
AJ-102299,
AX8210677,
CS-0079634,
S-0170,
I14-16856,
ACN-039430,
(1R,4S)-tert-Butyl2-azabicyclo[2.2.1]heptane-2-carboxylate,
2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.278g/mol |
| Monoisotopic Mass | 197.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number