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Molecule
Trimethylammonium Chloride
CAS: 593-81-7 · C3H10ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 593-81-7
- Molecular Formula
- C3H10ClN
- Molecular Mass
- 95.57 g/mol
Identifiers
CAS Registry Number
593-81-7
SMILES
CN(C)C.Cl
InChI Key
SZYJELPVAFJOGJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H
Names and Synonyms
- Trimethylammonium Chloride Synonym
- Methanamine, N,N-dimethyl-, hydrochloride (1:1) Synonym
- Trimethylamine, hydrochloride Synonym
- Methanamine, N,N-dimethyl-, hydrochloride Synonym
- Trimethylammonium chloride Synonym
- Trimethylamine monohydrochloride Synonym
- Trimethylamine hydrochloric acid Synonym
- Hegzadesil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 95.57 g/mol | CAS Common Chemistry |
| 95.573 g/mol | RDKit | |
| Boiling Point | <200 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.N(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9N.ClH/c1-4(2)3;/h1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SZYJELPVAFJOGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 277.5 °C | CAS Common Chemistry |
| Name | Trimethylammonium chloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.5995999999999999 | RDKit |
| 0.5996 | RDKit | |
| Molar Refractivity | 26.858999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 95.05017699999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 95.57 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H10ClN.
