Back to Search
Triethylamine
CAS: 121-44-8 | C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-44-8
Molecular Formula:
C6H15N
Molecular Weight:
101.193 g/mol
Names and Synonyms:
Triethylamine
Ethanamine, N,N-diethyl-
Triethylamine
N,N-Diethylethanamine
(Diethylamino)ethane
TEA
N,N,N-Triethylamine
LE 11-5RG
ATB 0489
T 0886
Identifiers:
SMILES:
CCN(CC)CC
InChI:
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
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 | 101.193 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.12044947999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 | 1.3481 | RDKit |
| molecular_mass | 101.19 g/mol | Legacy Database |
| density | 0.73 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Triethylamine None | Legacy Database |
| cas-boiling-point | 89.3 °C None | Legacy Database |
| cas-canonical-smile | N(CC)(CC)CC None | Legacy Database |
| cas-density | 0.7255 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -114.7 °C None | Legacy Database |
| cas-name | Triethylamine None | Legacy Database |
| wikipedia-name | Triethylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.46199999999998 | RDKit |
