| CAS Number | 905306-11-8 |
| Catalog Number | AG00IG6F(AGN-PC-0WBRN5) |
| Chemical Name | tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate |
| IUPAC Name | tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate |
| InChI | InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-8-4-7(11)6-13-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1 |
| InChI Key | UETGVFOVBKMLPQ-YUMQZZPRSA-N |
| MDL Number | MFCD28502462 |
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.2469 |
| SMILES | O=C(N1[C@]2([H])CO[C@](C2)([H])C1)OC(C)(C)C |
| Synonyms | 905306-11-8,
tert-butyl (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate,
(1S,4S)-5-Boc-2-oxa-5-azabicyclo[2.2.1]heptane,
MFCD28502462,
ZINC34227165,
AKOS025289821,
FCH3987852,
AJ-87556,
AK171422,
AS-52392,
CS-0048670,
(1S,4S)-tert-Butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate,
114676-79-8,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.25g/mol |
| Monoisotopic Mass | 199.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number