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1,3-Dimethyl-2-Imidazolidinone
CAS: 80-73-9 | C5H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-73-9
Molecular Formula:
C5H10N2O
Molecular Weight:
114.14799999999998 g/mol
Names and Synonyms:
1,3-Dimethyl-2-Imidazolidinone
1,3-Dimethyl-2-imidazolidindione
N,N′-Dimethyl-N,N′-ethyleneurea
1,3-Dimethylimidazolidinone
DMI
N,N-Dimethylethylenediamine cyclic urea
N,N-Dimethylimidazolidinone
DMEU (solvent)
DMEU
1,3-Dimethyl-2-imidazolidone
Dimethylimidazolidinone
N,N′-Dimethylimidazolidinone
Karbomos TsEM
N,N′-Dimethylimidazolidone
1,3-Dimethylethyleneurea
Rhonite 1
N,N′-Dimethyl-2-imidazolidinone
N,N′-Dimethylethyleneurea
1,3-Dimethyl-2-imidazolidinone
2-Imidazolidinone, 1,3-dimethyl-
Identifiers:
SMILES:
CN1CCN(C)C1=O
InChI:
InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
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 |
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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 | 114.15 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/1,3-Dimethyl-2-imidazolidinone None | Legacy Database |
| cas-boiling-point | 221 °C None | Legacy Database |
| cas-canonical-smile | O=C1N(C)CCN1C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CYSGHNMQYZDMIA-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 8.2 °C None | Legacy Database |
| cas-name | 1,3-Dimethyl-2-imidazolidinone None | Legacy Database |
| wikipedia-name | 1,3-Dimethyl-2-imidazolidinone None | Legacy Database |
| LogP | -0.01639999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 114.14799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.07931294 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.55 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.655999999999988 | RDKit |
