Acetohydroxamic acid - CAS 546-88-3
Catalog: |
BB028774 |
Product Name: |
Acetohydroxamic acid |
CAS: |
546-88-3 |
Synonyms: |
Acetamide, N-hydroxy-; Acetic acid, oxime; Acetohydroximic acid; Acetylhydroxamic acid; Acetylhydroxylamine; AHA; AHA (urease inhibitor); Ethyl hydroxamic acid; Hydroxylamine, N-acetyl-; Methylhydroxamic acid; N-Acetylhydroxylamine; NSC 176136; NSC 408425; NSC 5073 |
Application: |
Enzyme inhibitors |
Related CAS: | 1113-25-3 (Deleted CAS)
|
IUPAC Name: | N-hydroxyacetamide |
Description: | Acetohydroxamic acid is a potent irreversible Helicobacter pylori urease inhibitor used in the synthesis of pyrogallol and catechol derivatives. |
Molecular Weight: | 75.07 |
Molecular Formula: | C2H5NO2 |
Canonical SMILES: | CC(=O)NO |
InChI: | InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4) |
InChI Key: | RRUDCFGSUDOHDG-UHFFFAOYSA-N |
Boiling Point: | 231.4±23.0°C at 760 mmHg |
Melting Point: | 89-92°C |
Purity: | ≥95% |
Density: | 1.155±0.06 g/cm3 |
Solubility: | Soluble in Methanol (Slightly), Water |
Appearance: | White solid |
Storage: | Store at -20°C |
Decomposition: | When heated to decomposition it emits toxic fumes of nitroxides |
MDL: | MFCD00009994 |
LogP: | -0.09740 |
Quality Standard: | Enterprise Standard/USP |
pH: | 9.39 (aq soln) |
GHS Hazard Statement: | H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
31863869 | 20200315 | Evaluation of high-affinity phenyltetrahydroisoquinoline aldoximes, linked through anti-triazoles, as reactivators of phosphylated cholinesterases | Toxicology letters |
31163137 | 20190825 | Synthesis and in vitro evaluation of neutral aryloximes as reactivators of Electrophorus eel acetylcholinesterase inhibited by NEMP, a VX surrogate | Chemico-biological interactions |
25956921 | 20150801 | Synergism Between Anticholinergic and Oxime Treatments Against Sarin-Induced Ocular Insult in Rats | Toxicological sciences : an official journal of the Society of Toxicology |
25304213 | 20150101 | Novel nucleophiles enhance the human serum paraoxonase 1 (PON1)-mediated detoxication of organophosphates | Toxicological sciences : an official journal of the Society of Toxicology |
24345352 | 20140227 | Interactions between xylene-linked carbamoyl bis-pyridinium mono-oximes and organophosphates inhibited-AChE: a kinetic study | Toxicology |
Complexity: | 42.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 75.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 5 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 75.032028402 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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