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Pralidoxime Iodide
CAS: 94-63-3 | C7H9IN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-63-3
Molecular Formula:
C7H9IN2O
Molecular Mass:
264.07 g/mol
Names and Synonyms:
Pralidoxime Iodide
Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, iodide (1:1)
2-Formyl-1-methylpyridinium iodide oxime
Pyridinium, 2-formyl-1-methyl-, iodide, oxime
Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, iodide
2-PAM
1-Methyl-2-aldoximinopyridinium iodide
1-Methyl-2-hydroxyiminomethylpyridinium iodide
N-Methylpyridinium-2-aldoxime iodide
PAM
Pralidoxime iodide
Protopam iodide
2-Pyridine aldoxime iodomethylate
2-Pyridinealdoxime methiodide
2-Pyridine aldoxymethiodide
PAM (pharmaceutical)
2-Hydroxyiminomethyl-1-methylpyridinium iodide
N-Methylpyridine-2-aldoxime iodide
Pyridinium-2-aldoxime N-methyliodide
Pralidoxime methiodide
2-Pyridine aldoxime methyl iodide
2-Pyridinecarboxaldehyde aldoxime methiodide
2-Pyridylaldoxime methiodide
Pyridine aldoxime methiodide
2-(Hydroximinomethyl)-1-methylpyridinium iodide
2-PAM iodide
2-Pyridinaldoxime methiodide
Pralidoxime iodomethylate
Identifiers:
SMILES:
CN1C=CC=CC1=CN=O.I
InChI:
InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Key Properties
Melting Point
225-226 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.07 g/mol | CAS Common Chemistry |
| 264.066 g/mol | RDKit | |
| 263.975960908 g/mol | RDKit | |
| Canonical SMILES | [I-].ON=CC=1C=CC=C[N+]1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=QNBVYCDYFJUNLO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225-226 °C | CAS Common Chemistry |
| Name | Pralidoxime iodide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| LogP | 2.2275000000000005 | RDKit |
| Molar Refractivity | 55.33600000000002 | RDKit |
