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Dimethylformamide Diethyl Acetal
CAS: 1188-33-6 | C7H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1188-33-6
Molecular Formula:
C7H17NO2
Molecular Weight:
147.21800000000002 g/mol
Names and Synonyms:
Dimethylformamide Diethyl Acetal
Methanamine, 1,1-diethoxy-N,N-dimethyl-
Trimethylamine, 1,1-diethoxy-
1,1-Diethoxy-N,N-dimethylmethanamine
Formamide, N,N-dimethyl-, diethyl acetal
Dimethylformamide diethyl acetal
N,N-Dimethylformamide diethyl acetal
DMF diethyl acetal
DMF di-Et acetal
NSC 377652
(Diethoxymethyl)dimethylamine
Identifiers:
SMILES:
CCOC(OCC)N(C)C
InChI:
InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3
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 | 147.21800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.125928784 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9046000000000001 | RDKit |
| molecular_mass | 147.22 g/mol | Legacy Database |
| cas-boiling-point | 129 °C None | Legacy Database |
| cas-canonical-smile | O(CC)C(OCC)N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=BWKAYBPLDRWMCJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 178-180 °C @ Solvent: Ethanol None | Legacy Database |
| cas-name | Dimethylformamide diethyl acetal None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.727000000000004 | RDKit |
