2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium iodide

• ChemBase ID: 82233
• Molecular Formular: C7H9IN2O
• Molecular Mass: 264.06363
• Monoisotopic Mass: 263.97596092
• SMILES: [n+]1(c(cccc1)/C=N/O)C.[I-]
• Canonical SMILES: O/N=C/c1cccc[n+]1C.[I-]
• InChI: InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
• InChIKey: QNBVYCDYFJUNLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium iodide
• IUPAC Traditional name: 2-[(hydroxyimino)methyl]-1-methylpyridin-1-ium iodide
• Synonyms: 2-PAM; 2-PAM iodide; Pralidoxime iodide; 2-Pyridinealdoxime methiodide; 2-[(hydroxyimino)methyl]-1-methylpyridinium iodide; 2-PAM 碘化物; 碘解磷定; 吡啶-2-乙醛肟甲碘化物

Database IDs

• CAS Number: 94-63-3
• EC Number: 202-349-6
• MDL Number: MFCD00011982
• PubChem SID: 162069352; 24898726
• PubChem CID: 5464070

CALCULATED PROPERTIES

• Acid pKa: 5.7806177
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4252226
• LogD (pH = 7.4): -4.3101006
• Log P: -3.257119
• Molar Refractivity: 40.3265 cm^3
• Polarizability: 14.695804 Å^3
• Polar Surface Area: 36.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 °C (dec.)(lit.)

Safety Information

• RTECS: UU4375000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... ACHE(43)

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C7H11IN2O

DETAILS

Sigma Aldrich - P60205

Packaging
25, 100 g in poly bottle