Back to Search
Edrophonium Chloride
CAS: 116-38-1 | C10H16ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-38-1
Molecular Formula:
C10H16ClNO
Molecular Mass:
201.70 g/mol
Names and Synonyms:
Edrophonium Chloride
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride (1:1)
Ammonium, ethyl(m-hydroxyphenyl)dimethyl-, chloride
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, chloride
Ethyl(m-hydroxyphenyl)dimethylammonium chloride
Dimethylethyl(3-hydroxyphenyl)ammonium chloride
Edrophonium chloride
Tensilon chloride
Tensilon
Ethyl(3-hydroxyphenyl)dimethylammonium chloride
Antirex
Reversol
Enlon
Edrophone chloride
Identifiers:
SMILES:
CC[N+](C)(C)c1cccc([O-])c1.Cl
InChI:
InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
Key Properties
Melting Point
162-163 °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 | 201.70 g/mol | CAS Common Chemistry |
| 201.69699999999997 g/mol | RDKit | |
| 201.092041812 g/mol | RDKit | |
| 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 |
| LogP | 1.7687999999999997 | RDKit |
| Molar Refractivity | 57.319000000000045 | RDKit |
