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N-(2-Hydroxyethyl)Acetamide
CAS: 142-26-7 | C4H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-26-7
Molecular Formula:
C4H9NO2
Molecular Weight:
103.121 g/mol
Names and Synonyms:
N-(2-Hydroxyethyl)Acetamide
Mackamide AME 100
NSC 5999
Incromectant AMEA 70
Incromectant AMEA 100
Acetamide MEA
2-N-Acetylaminoethanol
Schercomid AME 70
N-Acetyl-2-aminoethanol
2-Acetylaminoethanol
N-Ethanolacetamide
2-Acetamidoethanol
N-(β-Hydroxyethyl)acetamide
Acetylcolamine
β-Hydroxyethylacetamide
N-Acetylethanolamine
N-(2-Hydroxyethyl)acetamide
Acetamide, N-(2-hydroxyethyl)-
Identifiers:
SMILES:
CC(O)=NCCO
InChI:
InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 103.12 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| cas-boiling-point | 166-167 °C @ Press: 8 Torr None | Legacy Database |
| cas-canonical-smile | O=C(NCCO)C None | Legacy Database |
| cas-density | 1.1079 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7) None | Legacy Database |
| cas-inchi-key | InChIKey=PVCJKHHOXFKFRP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 63-65 °C None | Legacy Database |
| cas-name | N-(2-Hydroxyethyl)acetamide None | Legacy Database |
| LogP | -0.04489999999999994 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 103.121 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 103.063328528 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 27.69059999999999 | RDKit |
