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Trimethylamine
CAS: 75-50-3 | C3H9N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-50-3
Molecular Formula:
C3H9N
Molecular Weight:
59.111999999999995 g/mol
Names and Synonyms:
Trimethylamine
Common Name
TM-CP 350
Synonym
N,N,N-Trimethylamine
Synonym
N-Trimethylamine
Synonym
N,N-Dimethylmethanamine
Synonym
Trimethylamine
Synonym
Methanamine, N,N-dimethyl-
Synonym
Identifiers:
SMILES:
CN(C)C
InChI:
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
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 | 59.111999999999995 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 59.073499288 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 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 | 0.17779999999999996 | RDKit |
| molecular_mass | 59.11 g/mol | Legacy Database |
| density | 0.63 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylamine None | Legacy Database |
| cas-boiling-point | 2.8 °C None | Legacy Database |
| cas-canonical-smile | N(C)(C)C None | Legacy Database |
| cas-density | 0.627 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9N/c1-4(2)3/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GETQZCLCWQTVFV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -117.1 °C None | Legacy Database |
| cas-name | Trimethylamine None | Legacy Database |
| wikipedia-name | Trimethylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.610999999999997 | RDKit |