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Molecule
Trimethylamine
CAS: 75-50-3 · C3H9N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75-50-3
- Molecular Formula
- C3H9N
- Molecular Mass
- 59.11 g/mol
Identifiers
CAS Registry Number
75-50-3
SMILES
CN(C)C
InChI Key
GETQZCLCWQTVFV-UHFFFAOYSA-N
InChI
InChI=1S/C3H9N/c1-4(2)3/h1-3H3
Names and Synonyms
- Trimethylamine Common Name
- Methanamine, N,N-dimethyl- Synonym
- Trimethylamine Synonym
- N,N-Dimethylmethanamine Synonym
- N-Trimethylamine Synonym
- N,N,N-Trimethylamine Synonym
- TM-CP 350 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.11 g/mol | CAS Common Chemistry |
| 59.111999999999995 g/mol | RDKit | |
| 59.112 g/mol | RDKit | |
| Density | 0.63 g/cm³ | CAS Common Chemistry |
| 0.627 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylamine | CAS Common Chemistry |
| Boiling Point | 2.8 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9N/c1-4(2)3/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GETQZCLCWQTVFV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -117.1 °C | CAS Common Chemistry |
| Name | Trimethylamine | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.17779999999999996 | RDKit |
| 0.1778 | RDKit | |
| Molar Refractivity | 19.610999999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 59.073499288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 59.11 g/mol; density = 0.630 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H9N.
