DTXSID00920597

2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

CAS: 111896-93-6

Molecular Formula	`C21H21NO2`
Molecular Weight	319.4 g/mol
LogP	4.2
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	319.15723
Heavy Atoms	24
Complexity	464.0

Chemical Identifiers

CAS Number	111896-93-6
SMILES	`C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4`
InChIKey	`ZYJQSYJBKVJHJK-UHFFFAOYSA-N`

📖 Product Overview

DTXSID00920597 (CAS: 111896-93-6) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.4 g/mol. Its IUPAC systematic name is 2-[(4-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one. LogP 4.2 Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 319.15723 Heavy Atoms 24 Complexity 464.0 InChI Key: ZYJQSYJBKVJHJK-UHFFFAOYSA-N. SMILES: C1CN2CCC1C(=O)C2=CC3=CC=C(C=C3)OCC4=CC=CC=C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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