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Molecule
N-Methylformamide
CAS: 123-39-7 · C2H5NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 123-39-7
- Molecular Formula
- C2H5NO
- Molecular Mass
- 59.07 g/mol
Identifiers
CAS Registry Number
123-39-7
SMILES
CN=CO
InChI Key
ATHHXGZTWNVVOU-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
Names and Synonyms
- N-Methylformamide Synonym
- Formamide, N-methyl- Synonym
- N-Methylformamide Synonym
- Monomethylformamide Synonym
- Methylformamide Synonym
- N-Monomethylformamide Synonym
- NSC 3051 Synonym
- N-Methylformimidic acid Synonym
- Methyl methanamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.07 g/mol | CAS Common Chemistry |
| 59.068000000000005 g/mol | RDKit | |
| 59.068 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9961 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Methylformamide | CAS Common Chemistry |
| Boiling Point | 180-185 °C | CAS Common Chemistry |
| Canonical SMILES | O=CNC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=ATHHXGZTWNVVOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -5.4 °C | CAS Common Chemistry |
| Name | N-Methylformamide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.20250000000000007 | RDKit |
| 0.2025 | RDKit | |
| Molar Refractivity | 17.044800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 59.03711378 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 59.07 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5NO.
