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Methylammonium Chloride
CAS: 593-51-1 | CH6ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
593-51-1
Molecular Formula:
CH6ClN
Molecular Weight:
67.51899999999999 g/mol
Names and Synonyms:
Methylammonium Chloride
Synonym
Methanamine, hydrochloride (1:1)
Synonym
Methylamine, hydrochloride
Synonym
Methanamine, hydrochloride
Synonym
Methylammonium chloride
Synonym
Monomethylammonium chloride
Synonym
Methanaminium chloride
Synonym
Methylamine monohydrochloride
Synonym
Methylamine hydrochloride
Synonym
Identifiers:
SMILES:
CN.Cl
InChI:
InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 67.51899999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 67.01887687199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.003299999999999914 | RDKit |
| molecular_mass | 67.52 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methylammonium_chloride None | Legacy Database |
| cas-boiling-point | 227 °C None | Legacy Database |
| cas-canonical-smile | Cl.NC None | Legacy Database |
| cas-inchi | InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=NQMRYBIKMRVZLB-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 227.5 °C None | Legacy Database |
| cas-name | Methylamine hydrochloride None | Legacy Database |
| wikipedia-name | Methylammonium chloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.3594 | RDKit |