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N,N-Diethylmethylamine
CAS: 616-39-7 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
616-39-7
Molecular Formula:
C5H13N
Molecular Mass:
87.17 g/mol
Names and Synonyms:
N,N-Diethylmethylamine
N-Methyl-N-ethylethanamine
Ethanamine, N-ethyl-N-methyl-
Diethylamine, N-methyl-
N-Ethyl-N-methylethanamine
Diethylmethylamine
N-Methyldiethylamine
N,N-Diethylmethylamine
N,N-Diethyl-N-methylamine
Methyldiethylamine
Diethylmonomethylamine
Identifiers:
SMILES:
CCN(C)CC
InChI:
InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
Key Properties
Boiling Point
66 °C
CAS Common Chemistry
Melting Point
-196 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.17 g/mol | CAS Common Chemistry |
| 87.166 g/mol | RDKit | |
| 87.10479941599999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-diethylmethylamine | CAS Common Chemistry |
| Boiling Point | 66 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNVRJGIVDSQCOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -196 °C | CAS Common Chemistry |
| Name | Diethylmethylamine | CAS Common Chemistry |
| N,N-diethylmethylamine | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 0.958 | RDKit |
| Molar Refractivity | 28.844999999999985 | RDKit |
