[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] benzoate

CAS: 77539-57-2

Molecular Formula	`C26H26N2O3`
Molecular Weight	414.5 g/mol
LogP	4.3
Topological Polar Surface Area	62.7 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	414.19434
Heavy Atoms	31
Complexity	649.0

Chemical Identifiers

CAS Number	77539-57-2
SMILES	`C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC(=O)C5=CC=CC=C5)O`
InChIKey	`RMIORKZWPHXLKV-UHFFFAOYSA-N`

📖 Product Overview

[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] benzoate (CAS: 77539-57-2) is a chemical compound with molecular formula C26H26N2O3 and molecular weight 414.5 g/mol. Its IUPAC systematic name is [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] benzoate. LogP 4.3 Topological Polar Surface Area 62.7 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 414.19434 Heavy Atoms 31 Complexity 649.0 InChI Key: RMIORKZWPHXLKV-UHFFFAOYSA-N. SMILES: C=CC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC(=O)C5=CC=CC=C5)O.

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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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📚 Academic Support

Scientific research papers and technical documentation supporting this product for informed procurement decisions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] benzoate.

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