9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate

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Basic information

CAS: 6606-09-3
Standard SMILES: O=C(OC1CC2CCCC(C1)N2CCc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIKey: MBLNYIIHNHIOEF-UHFFFAOYSA-N
Molecular formula: C30H33NO3
Average molar mass: 455.6 g/mol
Monoisotopic mass: 455.24604391

Names & identifiers

Preferred name: 9-Azabicyclo(3.3.1)nonan-3-beta-ol, 9-phenethyl-, benzilate
IUPAC: [9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl] 2-hydroxy-2,2-diphenylacetate

Names & synonyms

KSD 25986606-09-3BRN 15572569-Phenethyl-9-azabicyclo(3.3.1)nonan-3-beta-ol benzilate9-AZABICYCLO(3.3.1)NONAN-3-beta-OL, 9-PHENETHYL-, BENZILATEN-Phenethyl-norgranatan-3-ol beta-(alpha-hydroxy-alpha-diphenylacetyl) ester [German]N-Phenethyl-norgranatan-3-ol beta-(alpha-hydroxy-alpha-diphenylacetyl) esterRefChem:312955DTXSID009845389-(2-Phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl hydroxy(diphenyl)acetate9-(2-Phenylethyl)-9-azabicyclo[3.3.1]nonan-3-yl hydroxydi(phenyl)acetate

Database identifiers

CAS: 6606-09-3
PubChem CID: 23084
DTXSID: DTXSID00984538

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 615

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Compound notes

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