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Molecule
Dimethylformamide Diethyl Acetal
CAS: 1188-33-6 · C7H17NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1188-33-6
- Molecular Formula
- C7H17NO2
- Molecular Mass
- 147.22 g/mol
Identifiers
CAS Registry Number
1188-33-6
SMILES
CCOC(OCC)N(C)C
InChI Key
BWKAYBPLDRWMCJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3
Names and Synonyms
- Dimethylformamide Diethyl Acetal Synonym
- Methanamine, 1,1-diethoxy-N,N-dimethyl- Synonym
- Trimethylamine, 1,1-diethoxy- Synonym
- 1,1-Diethoxy-N,N-dimethylmethanamine Synonym
- Formamide, N,N-dimethyl-, diethyl acetal Synonym
- Dimethylformamide diethyl acetal Synonym
- N,N-Dimethylformamide diethyl acetal Synonym
- DMF diethyl acetal Synonym
- DMF di-Et acetal Synonym
- NSC 377652 Synonym
- (Diethoxymethyl)dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.22 g/mol | CAS Common Chemistry |
| 147.21800000000002 g/mol | RDKit | |
| 147.218 g/mol | RDKit | |
| Boiling Point | 129 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BWKAYBPLDRWMCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-180 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Dimethylformamide diethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.9046000000000001 | RDKit |
| 0.9046 | RDKit | |
| Molar Refractivity | 40.727000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.125928784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 147.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H17NO2.
