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Pralidoxime Chloride
CAS: 51-15-0 | C7H9ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
51-15-0
Molecular Formula:
C7H9ClN2O
Molecular Mass:
172.62 g/mol
Names and Synonyms:
Pralidoxime Chloride
Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, chloride (1:1)
2-Formyl-1-methylpyridinium chloride oxime
Pyridinium, 2-formyl-1-methyl-, chloride, oxime
Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, chloride
1-Methyl-2-aldoximinopyridinium chloride
Pralidoxime chloride
Protopam chloride
2-PAM chloride
2-(Hydroxyiminomethyl)-1-methylpyridinium chloride
2-Pyridinealdoxime methochloride
N-Methylpyridinium-2-aldoxime chloride
1-Methylpyridinium-2-aldoxime chloride
2-Pralidoxime chloride
2-[(Hydroxyimino)methyl]-1-methylpyridin-1-ium chloride
Identifiers:
SMILES:
CN1C=CC=CC1=CN=O.Cl
InChI:
InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Key Properties
Melting Point
236.5 °C (decomp)
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 | 172.62 g/mol | CAS Common Chemistry |
| 172.615 g/mol | RDKit | |
| 172.040340588 g/mol | RDKit | |
| Canonical SMILES | [Cl-].ON=CC=1C=CC=C[N+]1C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=HIGSLXSBYYMVKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 236.5 °C (decomp) | CAS Common Chemistry |
| Name | Pralidoxime chloride | 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 | 2.0313000000000003 | RDKit |
| Molar Refractivity | 47.16900000000002 | RDKit |
