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Molecule
Dimethylformamide Dimethyl Acetal
CAS: 4637-24-5 · C5H13NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4637-24-5
- Molecular Formula
- C5H13NO2
- Molecular Mass
- 119.16 g/mol
Identifiers
CAS Registry Number
4637-24-5
SMILES
COC(OC)N(C)C
InChI Key
ZSXGLVDWWRXATF-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
Names and Synonyms
- Dimethylformamide Dimethyl Acetal Common Name
- Methanamine, 1,1-dimethoxy-N,N-dimethyl- Synonym
- Trimethylamine, 1,1-dimethoxy- Synonym
- 1,1-Dimethoxy-N,N-dimethylmethanamine Synonym
- 1,1-Dimethoxytrimethylamine Synonym
- N-(Dimethoxymethyl)dimethylamine Synonym
- Dimethoxy(dimethylamino)methane Synonym
- Methyl-8 Synonym
- (Dimethylamino)formaldehyde dimethyl acetal Synonym
- (Dimethylamino)dimethoxymethane Synonym
- Dimethoxy-N,N-dimethylmethylamine Synonym
- DMF dimethyl acetal Synonym
- N,N-Dimethylformamide dimethyl acetal Synonym
- Dimethylformamide dimethyl acetal Synonym
- α,α-Dimethoxytrimethylamine Synonym
- DMFDMA Synonym
- N-(Dimethoxymethyl)-N,N-dimethylamine Synonym
- (Dimethoxymethyl)dimethylamine Synonym
- Dimethoxy-N,N-dimethylmethanamine Synonym
- Dimethyl dimethylformamide acetal Synonym
- N,N-Dimethyl-1,1-bis(methyloxy)methanamine Synonym
- N,N-Dimethyl(dimethoxymethyl)amine Synonym
- N,N-Dimethylformamido dimethyl acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 119.16 g/mol | CAS Common Chemistry |
| 119.164 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.8990 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O(C)C(OC)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSXGLVDWWRXATF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 101-102 °C | CAS Common Chemistry |
| Name | Dimethylformamide dimethyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.12439999999999984 | RDKit |
| 0.1244 | RDKit | |
| Molar Refractivity | 31.492999999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 119.094628656 g/mol | RDKit |
| Boiling Point | 107-108 °C @ 763 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 119.16 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13NO2.
