822-36-6 | 4-Methylimidazole

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$6.00	$4.00
100g	98%	in stock	$9.00	$6.00
500g	98%	in stock	$38.00	$27.00

Description

• Catalog Number: AB45082
• Chemical Name: 4-Methylimidazole
• CAS Number: 822-36-6
• Molecular Formula: C4H6N2
• Molecular Weight: 82.1038
• MDL Number: MFCD01074774
• SMILES: Cc1c[nH]cn1
• NSC Number: 40744

Computed Properties

• Complexity: 44.8
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 6
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 0.2

Literature

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  Inorganic chemistry 20121105

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• Accurate structure and dynamics of the metal-site of paramagnetic metalloproteins from NMR parameters using natural bond orbitals.

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• Self-assembly of the oxy-tyrosinase core and the fundamental components of phenolic hydroxylation.

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• Simultaneous quantitation of 2-acetyl-4-tetrahydroxybutylimidazole, 2- and 4-methylimidazoles, and 5-hydroxymethylfurfural in beverages by ultrahigh-performance liquid chromatography-tandem mass spectrometry.

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• DFT calculations of the EPR parameters for Cu(ii) DETA imidazole complexes.

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• Comparative analysis of mutant tyrosine kinase chemical rescue.

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• Effects of 4-methylimidazole on cerebral glutamate decarboxylase activity and specific GABA receptor binding in mice.

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• Bis(4-methyl-imidazolium) succinate succinic acid solvate.

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• A DFT study of the 67Zn, 14N and 2H electric field gradient tensors in Zinc(II)-4-MeIm complexes and extrapolation to superoxide dismutase.

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• Structures of human cytochrome P-450 2E1. Insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.

  The Journal of biological chemistry 20081128

• Reaction dynamics of excited 2-(3-benzoylphenyl)propionic acid (ketoprofen) with histidine.

  The journal of physical chemistry. B 20081127

• Two three-dimensional networks in the binary molecular adducts 4-methylimidazolium hydrogen terephthalate and bis(4-methylimidazolium) terephthalate.

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• Bis-histidine-coordinated hemes in four-helix bundles: how the geometry of the bundle controls the axial imidazole plane orientations in transmembrane cytochromes of mitochondrial complexes II and III and related proteins.

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• Hydrogen atom transfer reactions of iron-porphyrin-imidazole complexes as models for histidine-ligated heme reactivity.

  Journal of the American Chemical Society 20080305

• Improved interaction potentials for charged residues in proteins.

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• Toxicity and carcinogenicity studies of 4-methylimidazole in F344/N rats and B6C3F1 mice.

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• Different protonation equilibria of 4-methylimidazole and acetic acid.

  Chemphyschem : a European journal of chemical physics and physical chemistry 20071203

• Location of binding sites in small molecule rescue of human carbonic anhydrase II.

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  Journal of computational chemistry 20061115

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