| CAS Number | 1256107-32-0 |
| Catalog Number | AG01DU4C |
| Chemical Name | tert-butyl (1S,4S,5S)-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| IUPAC Name | tert-butyl (1S,4S,5S)-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-7-4-8(13)5-9(7)12/h7-9H,4-6,12H2,1-3H3/t7-,8-,9-/m0/s1 |
| InChI Key | HGLKMYOTFGKEDG-CIUDSAMLSA-N |
| MDL Number | MFCD22209803 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | N[C@@H]1[C@@H]2CN([C@H](C1)C2)C(OC(C)(C)C)=O |
| Synonyms | (1S,4S,5S)-Tert-Butyl 5-Amino-2-Azabicyclo[2.2.1]Heptane-2-Carboxylate,
793650-60-9,
1256107-32-0,
tert-butyl (1S,4S,5S)-rel-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate,
MFCD14581103,
ZINC20285995,
AJ-76956,
AS-53907,
CS-0058466,
t-Butyl (1S,4S,5S)-rel-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate,
(1R,4R,5R)-rel-5-Amino-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number