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Molecule
Pralidoxime Chloride
CAS: 51-15-0 · C7H9ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51-15-0
- Molecular Formula
- C7H9ClN2O
- Molecular Mass
- 172.62 g/mol
Identifiers
CAS Registry Number
51-15-0
SMILES
CN1C=CC=CC1=CN=O.Cl
InChI Key
HIGSLXSBYYMVKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
Names and Synonyms
- Pralidoxime Chloride Synonym
- Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, chloride (1:1) Synonym
- 2-Formyl-1-methylpyridinium chloride oxime Synonym
- Pyridinium, 2-formyl-1-methyl-, chloride, oxime Synonym
- Pyridinium, 2-[(hydroxyimino)methyl]-1-methyl-, chloride Synonym
- 1-Methyl-2-aldoximinopyridinium chloride Synonym
- Pralidoxime chloride Synonym
- Protopam chloride Synonym
- 2-PAM chloride Synonym
- 2-(Hydroxyiminomethyl)-1-methylpyridinium chloride Synonym
- 2-Pyridinealdoxime methochloride Synonym
- N-Methylpyridinium-2-aldoxime chloride Synonym
- 1-Methylpyridinium-2-aldoxime chloride Synonym
- 2-Pralidoxime chloride Synonym
- 2-[(Hydroxyimino)methyl]-1-methylpyridin-1-ium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.62 g/mol | CAS Common Chemistry |
| 172.615 g/mol | RDKit | |
| 172.612 g/mol | chempirical lib | |
| 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 |
| 32.44 Ų | chempirical lib | |
| LogP | 2.0313000000000003 | RDKit |
| 2.0313 | RDKit | |
| Molar Refractivity | 47.16900000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 172.040340588 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 172.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9ClN2O.
