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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 45839Generated: November 3, 2026

3,8-Diazabicyclo(3.2.1)octane, 3-benzyl-8-propionyl-

3-Benzyl-8-propionyl-3,8-diazabicyclo[3.2.1]octane · 1-Propanone, 1-[3-(phenylmethyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-

https://huagongshe.com/en/chemical/45839

3,8-Diazabicyclo(3.2.1)octane, 3-benzyl-8-propionyl- molecular structure

Identifiers & Physical Properties

CAS No.63978-12-1
Molecular formulaC16H22N2O
Average molar mass258.36 g/mol
Monoisotopic mass258.17321333 g/mol
SMILESCCC(=O)N1C2CCC1CN(Cc1ccccc1)C2
InChIKeyMAQBLRFYCNOQJD-UHFFFAOYSA-N
PubChem CID45839
DTXSIDDTXSID30981459

Chemical & Physical Properties

XLogP2.1
Topological polar surface area23.6
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds3
Heavy atoms19
Formal charge0
Complexity311
Boiling point174 °C(Press: 1 Torr)
Density1.117±0.06 g/cm3(Predicted)
pKa (acidity coefficient)8.53±0.20(Predicted)