Back to Search
Molecule
Ethylacetamide
CAS: 625-50-3 · C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 625-50-3
- Molecular Formula
- C4H9NO
- Molecular Mass
- 87.12 g/mol
Identifiers
CAS Registry Number
625-50-3
SMILES
CCN=C(C)O
InChI Key
PMDCZENCAXMSOU-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
Names and Synonyms
- Ethylacetamide Synonym
- Acetamide, N-ethyl- Synonym
- N-Ethylacetamide Synonym
- Ethylacetamide Synonym
- Acetamidoethane Synonym
- N-Acetylethylamine Synonym
- NSC 406307 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.12 g/mol | CAS Common Chemistry |
| 87.12199999999999 g/mol | RDKit | |
| 87.122 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9237 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 205 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=PMDCZENCAXMSOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79-80 °C @ Solvent: Ethyl acetate, Hexane | CAS Common Chemistry |
| Name | Ethylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.9827000000000001 | RDKit |
| 0.9827 | RDKit | |
| Molar Refractivity | 26.278799999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 87.068413908 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
Convert
Quick conversion
MW = 87.12 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO.
