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Molecule
N-(2-Hydroxyethyl)Acetamide
CAS: 142-26-7 · C4H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-26-7
- Molecular Formula
- C4H9NO2
- Molecular Mass
- 103.12 g/mol
Identifiers
CAS Registry Number
142-26-7
SMILES
CC(O)=NCCO
InChI Key
PVCJKHHOXFKFRP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
Names and Synonyms
- N-(2-Hydroxyethyl)Acetamide Common Name
- Acetamide, N-(2-hydroxyethyl)- Synonym
- N-(2-Hydroxyethyl)acetamide Synonym
- N-Acetylethanolamine Synonym
- β-Hydroxyethylacetamide Synonym
- Acetylcolamine Synonym
- N-(β-Hydroxyethyl)acetamide Synonym
- 2-Acetamidoethanol Synonym
- N-Ethanolacetamide Synonym
- 2-Acetylaminoethanol Synonym
- N-Acetyl-2-aminoethanol Synonym
- Schercomid AME 70 Synonym
- 2-N-Acetylaminoethanol Synonym
- Acetamide MEA Synonym
- Incromectant AMEA 100 Synonym
- Incromectant AMEA 70 Synonym
- NSC 5999 Synonym
- Mackamide AME 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 103.12 g/mol | CAS Common Chemistry |
| 103.121 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.1079 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(NCCO)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7) | CAS Common Chemistry |
| InChI Key | InChIKey=PVCJKHHOXFKFRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63-65 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxyethyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | -0.04489999999999994 | RDKit |
| -0.0449 | RDKit | |
| Molar Refractivity | 27.69059999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 103.063328528 g/mol | RDKit |
| Boiling Point | 166-167 °C @ 8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
External Resources
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Quick conversion
MW = 103.12 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9NO2.
