| CAS Number | 1932123-56-2 |
| Catalog Number | AG01EBNA |
| Chemical Name | tert-butyl (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| IUPAC Name | tert-butyl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-9,13H,4-6H2,1-3H3/t7-,8-,9?/m0/s1 |
| InChI Key | HDPGSWMTDGGUEB-JVIMKECRSA-N |
| MDL Number | MFCD22209822 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | O=C(N1[C@@](C2)([H])C[C@@H](O)[C@@]2([H])C1)OC(C)(C)C |
| Synonyms | (1R,4R,5S)-tert-Butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
1099570-26-9,
SCHEMBL5742486,
tert-butyl (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
(1R,4R,5R)-rel-tert-Butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate,
1932123-56-2,
198835-07-3,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number