Molecule
Dimethylformamide
CAS: 68-12-2 · C3H7NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 68-12-2
- Molecular Formula
- C3H7NO
- Molecular Mass
- 73.10 g/mol
Identifiers
CAS Registry Number
68-12-2
SMILES
CN(C)C=O
InChI Key
ZMXDDKWLCZADIW-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Names and Synonyms
- Dimethylformamide Synonym
- Formamide, N,N-dimethyl- Synonym
- N,N-Dimethylformamide Synonym
- Dimethylformamide Synonym
- DMF Synonym
- N-Formyldimethylamine Synonym
- DMFA Synonym
- DMF (amide) Synonym
- N,N-Dimethylmethanamide Synonym
- N,N-Dimethylformaldehyde Synonym
- Virodene-P 058 Synonym
- NSC 5356 Synonym
- D 165635 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.10 g/mol | CAS Common Chemistry |
| 73.095 g/mol | RDKit | |
| Density | 0.94 g/cm³ | CAS Common Chemistry |
| 0.9445 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylformamide | CAS Common Chemistry |
| Canonical SMILES | O=CN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -61 °C | CAS Common Chemistry |
| Name | Dimethylformamide | 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 | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | -0.2956000000000001 | RDKit |
| -0.2956 | RDKit | |
| Molar Refractivity | 19.750999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 73.052763844 g/mol | RDKit |
| Boiling Point | 153 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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
Convert
Quick conversion
MW = 73.10 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C3H7NO.
