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Molecule
Triethylamine, Hydrochloride
CAS: 554-68-7 · C6H16ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 554-68-7
- Molecular Formula
- C6H16ClN
- Molecular Mass
- 137.65 g/mol
Identifiers
CAS Registry Number
554-68-7
SMILES
CCN(CC)CC.Cl
InChI Key
ILWRPSCZWQJDMK-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
Names and Synonyms
- Triethylamine, Hydrochloride Systematic Name
- Ethanamine, N,N-diethyl-, hydrochloride (1:1) Synonym
- Triethylamine, hydrochloride Synonym
- Ethanamine, N,N-diethyl-, hydrochloride Synonym
- Triethylamine monohydrochloride Synonym
- Triethylammonium chloride Synonym
- N,N-Diethylethanamine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.65 g/mol | CAS Common Chemistry |
| 137.65400000000002 g/mol | RDKit | |
| 137.654 g/mol | RDKit | |
| 137.651 g/mol | chempirical lib | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0689 g/cm3 @ 21 °C | CAS Common Chemistry | |
| Boiling Point | <245 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.N(CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ILWRPSCZWQJDMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Triethylamine, hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 1.7698999999999998 | RDKit |
| 1.7699 | RDKit | |
| Molar Refractivity | 40.71000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.097127192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 137.65 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16ClN.
