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Molecule
Edrophonium Chloride
CAS: 116-38-1 · C10H16ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 116-38-1
- Molecular Formula
- C10H16ClNO
- Molecular Mass
- 201.70 g/mol
Identifiers
CAS Registry Number
116-38-1
SMILES
CC[N+](C)(C)c1cccc([O-])c1.Cl
InChI Key
BXKDSDJJOVIHMX-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
Names and Synonyms
- Edrophonium Chloride Common Name
- Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride (1:1) Synonym
- Ammonium, ethyl(m-hydroxyphenyl)dimethyl-, chloride Synonym
- Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride Synonym
- Ethyl(m-hydroxyphenyl)dimethylammonium chloride Synonym
- Dimethylethyl(3-hydroxyphenyl)ammonium chloride Synonym
- Edrophonium chloride Synonym
- Tensilon chloride Synonym
- Tensilon Synonym
- Ethyl(3-hydroxyphenyl)dimethylammonium chloride Synonym
- Antirex Synonym
- Reversol Synonym
- Enlon Synonym
- Edrophone chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 201.70 g/mol | CAS Common Chemistry |
| 201.69699999999997 g/mol | RDKit | |
| 201.697 g/mol | RDKit | |
| 201.694 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].OC1=CC=CC(=C1)[N+](C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=BXKDSDJJOVIHMX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162-163 °C (decomp) | CAS Common Chemistry |
| Name | Edrophonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.06 Ų | RDKit |
| 21.23 Ų | chempirical lib | |
| LogP | 1.7687999999999997 | RDKit |
| 1.7688 | RDKit | |
| Molar Refractivity | 57.319000000000045 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 201.092041812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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20
0 ppm
| 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.
External Resources
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MW = 201.70 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16ClNO.
