| CAS Number | 1033820-28-8 |
| Catalog Number | AG00HA2B(AGN-PC-0WCKNZ) |
| Chemical Name | Methyl 8-Boc-8-azabicyclo-[3.2.1]octane-2-carboxylate |
| IUPAC Name | 8-O-tert-butyl 2-O-methyl 8-azabicyclo[3.2.1]octane-2,8-dicarboxylate |
| InChI | InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-5-7-10(12(16)18-4)11(15)8-6-9/h9-11H,5-8H2,1-4H3 |
| InChI Key | NZHFCUPQNWPYIB-UHFFFAOYSA-N |
| MDL Number | MFCD23106266 |
| Molecular Formula | C14H23NO4 |
| Molecular Weight | 269.3367 |
| SMILES | O=C(C1C(N2C(OC(C)(C)C)=O)CCC2CC1)OC |
| Synonyms | 1033820-28-8,
Methyl 8-Boc-8-azabicyclo[3.2.1]octane-2-carboxylate,
Methyl 8-Boc-8-azabicyclo-[3.2.1]octane-2-carboxylate,
8-tert-butyl 2-methyl 8-azabicyclo[3.2.1]octane-2,8-dicarboxylate,
SCHEMBL413955,
NZHFCUPQNWPYIB-UHFFFAOYSA-N,
KS-000005KK,
MFCD23106266,
AKOS025403237,
PB37741,
CS-0048909,
Q-3573,
8-O-tert-butyl 2-O-methyl 8-azabicyclo[3.2.1]octane-2,8-dicarboxylate,
8-azabicyclo[3.2.1]octane-2,8-dicarboxylic acid 8-tert-butyl ester 2-methyl ester,
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| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.341g/mol |
| Monoisotopic Mass | 269.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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