3-Quinuclidinyl 4-azidobenzilate
1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate
Also Known As: QABZ|3-Quinuclidinyl p-azidobenzilate|3-Quinuclidinyl 4-azidobenzilate|3-quinuclidinyl4-azidobenzilate|1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate|Benzeneacetic acid, 4-azido-alpha-hydroxy-alpha-phenyl-, 1-azabicyclo(2.2.2)oct-3-yl ester|1-Azabicyclo[2.2.2]octan-3-yl (4-azidophenyl)(hydroxy)(phenyl)acetate|1-Azabicyclo[2.2.2]octan-3-yl (4-azidophenyl)(hydroxy)phenylacetate
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.1692 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.1692 |
| Monoisotopic Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 85474-81-3 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)N=[N+]=[N-])O |
| InChIKey | CVSURLUCVFEDOO-UHFFFAOYSA-N |
Product Overview
3-Quinuclidinyl 4-azidobenzilate (CAS 85474-81-3), with molecular formula C21H22N4O3 and molecular weight 378.1692 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-azidophenyl)-2-hydroxy-2-phenylacetate.
3-Quinuclidinyl 4-azidobenzilate is a custom synthesis product. We offer services from milligram to kilogram scale.
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