Back to Search
Ethylformamide
CAS: 627-45-2 | C3H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
627-45-2
Molecular Formula:
C3H7NO
Molecular Weight:
73.095 g/mol
Names and Synonyms:
Ethylformamide
Synonym
Formamide, N-ethyl-
Synonym
N-Ethylformamide
Synonym
N-Formylethylamine
Synonym
Ethylformamide
Synonym
NSC 404522
Synonym
Identifiers:
SMILES:
CCN=CO
InChI:
InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)
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 | 73.095 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.052763844 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.5926 | RDKit |
| molecular_mass | 73.09 g/mol | Legacy Database |
| density | 0.96 g/cm³ | Legacy Database |
| cas-boiling-point | 198 °C None | Legacy Database |
| cas-canonical-smile | O=CNCC None | Legacy Database |
| cas-density | 0.9552 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=KERBAAIBDHEFDD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethylformamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 21.661799999999996 | RDKit |