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Triethylamine, Hydrochloride
CAS: 554-68-7 | C6H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
554-68-7
Molecular Formula:
C6H16ClN
Molecular Weight:
137.65400000000002 g/mol
Names and Synonyms:
Triethylamine, Hydrochloride
N,N-Diethylethanamine hydrochloride
Triethylammonium chloride
Triethylamine monohydrochloride
Ethanamine, N,N-diethyl-, hydrochloride
Triethylamine, hydrochloride
Ethanamine, N,N-diethyl-, hydrochloride (1:1)
Identifiers:
SMILES:
CCN(CC)CC.Cl
InChI:
InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 137.65400000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.097127192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7698999999999998 | RDKit |
| molecular_mass | 137.65 g/mol | Legacy Database |
| density | 1.07 g/cm³ | Legacy Database |
| cas-boiling-point | <245 °C None | Legacy Database |
| cas-canonical-smile | Cl.N(CC)(CC)CC None | Legacy Database |
| cas-density | 1.0689 g/cm3 @ Temp: 21 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ILWRPSCZWQJDMK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 260 °C (decomp) None | Legacy Database |
| cas-name | Triethylamine, hydrochloride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.71000000000001 | RDKit |
