Molecule structure of 3-Hydroxycarbamoyl-1-methylpyri-dinium iodide (CAS NO.5434-60-6) :
IUPAC Name: N-hydroxy-1-methylpyridin-1-ium-3-carboxamide iodide
Molecular Weight: 280.06303 g/mol
Molecular Formula: C7H9IN2O2
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 279.970871
MonoIsotopic Mass: 279.970871
Topological Polar Surface Area: 53.2
Heavy Atom Count: 12
Complexity: 149
Canonical SMILES: C[N+]1=CC=CC(=C1)C(=O)NO.[I-]
InChI: InChI=1S/C7H8N2O2.HI/c1-9-4-2-3-6(5-9)7(10)8-11;/h2-5H,1H3,(H-,8,10,11);1H
InChIKey of 3-Hydroxycarbamoyl-1-methylpyri-dinium iodide (CAS NO.5434-60-6) : GGEUYKQESIWRQV-UHFFFAOYSA-N
1. | mic-sat 10 µmol/plate | MUREAV Mutation Research. 135 (1984),139. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and I−.
3-Hydroxycarbamoyl-1-methylpyri-dinium iodide (CAS NO.5434-60-6) is also called N-Methylpyridinium-3-carbohydroxamic acid iodide ; NSC 14000 ; Pyridinium, 3-((hydroxyamino)carbonyl)-1-methyl-, iodide ; Pyridinium, 3-hydroxycarbamoyl-1-methyl-, iodide .
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