| CAS Number | 909135-31-5 |
| Catalog Number | AG00H2XO(AGN-PC-0WAK3Z) |
| Chemical Name | tert-Butyl7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate |
| IUPAC Name | tert-butyl 7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-4-10(8-14)6-11(15)5-9/h9-10H,4-8H2,1-3H3 |
| InChI Key | KJQIEALHEWUCMM-UHFFFAOYSA-N |
| MDL Number | MFCD22416302 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | O=C(N(CC1C2)CC(C1)CC2=O)OC(C)(C)C |
| Synonyms | TERT-BUTYL 7-OXO-3-AZABICYCLO[3.3.1]NONANE-3-CARBOXYLATE,
909135-31-5,
tert-Butyl 7-oxo-3-azabicyclo-[3.3.1]nonane-3-carboxylate,
850991-62-7,
SCHEMBL13004682,
CTK5F4128,
KJQIEALHEWUCMM-UHFFFAOYSA-N,
KS-000005NO,
MFCD22416302,
AKOS015900885,
FCH1846004,
SB13247,
AK-38359,
AS-34202,
3-Boc-3-azabicyclo[3.3.1]nonan-7-one,
AX8162977,
CS-0048130,
I14-15973,
7-Oxo-3-aza-bicyclo3.3.1nonane-3-carboxylic acid tert-butyl ester,
ACN-039520,
Tert-Butyl7-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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