KSD 2598
[9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-diphenylacetate
| Molecular Formula | C30H33NO3 |
|---|---|
| Molecular Weight | 455.6 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 49.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.24603 |
| Heavy Atoms | 34 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 6606-09-3 |
|---|---|
| SMILES | C1CC2CC(CC(C1)N2CCC3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O |
| InChIKey | MBLNYIIHNHIOEF-UHFFFAOYSA-N |
📖 Product Overview
KSD 2598 (CAS: 6606-09-3) is a chemical compound with molecular formula C30H33NO3 and molecular weight 455.6 g/mol. Its IUPAC systematic name is [9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-diphenylacetate.
MBLNYIIHNHIOEF-UHFFFAOYSA-N.
SMILES: C1CC2CC(CC(C1)N2CCC3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.
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