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Molecule
N,N-Dimethylethylamine
CAS: 598-56-1 · C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 598-56-1
- Molecular Formula
- C4H11N
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
598-56-1
SMILES
CCN(C)C
InChI Key
DAZXVJBJRMWXJP-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3
Names and Synonyms
- N,N-Dimethylethylamine Synonym
- Ethanamine, N,N-dimethyl- Synonym
- Ethylamine, N,N-dimethyl- Synonym
- N,N-Dimethylethanamine Synonym
- Dimethylethylamine Synonym
- N,N-Dimethylethylamine Synonym
- Methanamine, N-ethyl-N-methyl- Synonym
- N-Ethyldimethylamine Synonym
- N,N-Dimethylaminoethane Synonym
- DMEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-Dimethylethylamine | CAS Common Chemistry |
| Boiling Point | 36.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DAZXVJBJRMWXJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -140 °C | CAS Common Chemistry |
| Name | Dimethylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.5679 | RDKit |
| Molar Refractivity | 24.22799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
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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 = 73.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11N.
