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Molecule
Triethylamine
CAS: 121-44-8 · C6H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 121-44-8
- Molecular Formula
- C6H15N
- Molecular Mass
- 101.19 g/mol
Identifiers
CAS Registry Number
121-44-8
SMILES
CCN(CC)CC
InChI Key
ZMANZCXQSJIPKH-UHFFFAOYSA-N
InChI
InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
Names and Synonyms
- Triethylamine Synonym
- Ethanamine, N,N-diethyl- Synonym
- Triethylamine Synonym
- N,N-Diethylethanamine Synonym
- (Diethylamino)ethane Synonym
- TEA Synonym
- N,N,N-Triethylamine Synonym
- LE 11-5RG Synonym
- ATB 0489 Synonym
- T 0886 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.19 g/mol | CAS Common Chemistry |
| 101.193 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.7255 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Triethylamine | CAS Common Chemistry |
| Boiling Point | 89.3 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -114.7 °C | CAS Common Chemistry |
| Name | Triethylamine | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 1.3481 | RDKit |
| Molar Refractivity | 33.46199999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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Quick conversion
MW = 101.19 g/mol; density = 0.730 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N.
