| CAS Number | 1221818-31-0 |
| Catalog Number | AG00IL4O(AGN-PC-0WG3HG) |
| Chemical Name | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 7-hydroxy-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-5-8(12)9(7)13/h7-9,13H,4-6H2,1-3H3 |
| InChI Key | TZYFUEGUSGTHRA-UHFFFAOYSA-N |
| MDL Number | MFCD18792130 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | C(=O)(OC(C)(C)C)N1C2C(C(C1)CC2)O |
| Synonyms | tert-Butyl 7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
1221818-31-0,
Anti-tert-butyl 7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
312954-54-4,
SCHEMBL6983518,
MFCD18792130,
SB11167,
AM805899,
CS-0047393,
7-Hydroxy-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid t-butylester,
7-Hydroxy-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester,
7-Hydroxy-2-Aza-Bicyclo[2.2.1]Heptane-2-Carboxylicacidtert-Butylester,
anti-N-Boc-7-hydroxy-2-azabicyclo[2.2.1]heptane,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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