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Molecule
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 Mass
- 67.52 g/mol
Identifiers
CAS Registry Number
593-51-1
SMILES
CN.Cl
InChI Key
NQMRYBIKMRVZLB-UHFFFAOYSA-N
InChI
InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 67.52 g/mol | CAS Common Chemistry |
| 67.51899999999999 g/mol | RDKit | |
| 67.519 g/mol | RDKit | |
| 67.516 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methylammonium_chloride | CAS Common Chemistry |
| Boiling Point | 227 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.NC | CAS Common Chemistry |
| InChI | InChI=1S/CH5N.ClH/c1-2;/h2H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=NQMRYBIKMRVZLB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 227.5 °C | CAS Common Chemistry |
| Name | Methylamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | -0.003299999999999914 | RDKit |
| -0.0033 | RDKit | |
| Molar Refractivity | 17.3594 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 67.01887687199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 |
|---|
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 = 67.52 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH6ClN.
