AC1NRC45 structure

AC1NRC45

[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate

Also Known As: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate|{1-[2-(Diethylazaniumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene}(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate

CAS: 5683-25-0
Molecular Formula C28H34N4O6
Molecular Weight 522.24786 g/mol
LogP 0.81722
Topological Polar Surface Area 109.87 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 10
Exact Mass 522.24786
Monoisotopic Mass 522.24786
Heavy Atoms 38
Complexity 1366.2368

Chemical Identifiers

CAS Number 5683-25-0
SMILES CC[NH+](CC)CCN1C(C(=C(C2=C(N=C3N2C=CC=C3)C)[O-])C(=O)C1=O)C4=CC(=C(C(=C4)OC)OC)OC

Product Overview

AC1NRC45 (CAS 5683-25-0), with molecular formula C28H34N4O6 and molecular weight 522.24786 g/mol. IUPAC: [1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate.

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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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