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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 Mass:
114.15 g/mol
Names and Synonyms:
1,3-Dimethyl-2-Imidazolidinone
2-Imidazolidinone, 1,3-dimethyl-
1,3-Dimethyl-2-imidazolidinone
N,N′-Dimethylethyleneurea
N,N′-Dimethyl-2-imidazolidinone
Rhonite 1
1,3-Dimethylethyleneurea
N,N′-Dimethylimidazolidone
Karbomos TsEM
N,N′-Dimethylimidazolidinone
Dimethylimidazolidinone
1,3-Dimethyl-2-imidazolidone
DMEU
DMEU (solvent)
N,N-Dimethylimidazolidinone
N,N-Dimethylethylenediamine cyclic urea
DMI
1,3-Dimethylimidazolidinone
N,N′-Dimethyl-N,N′-ethyleneurea
1,3-Dimethyl-2-imidazolidindione
Identifiers:
SMILES:
CN1CCN(C)C1=O
InChI:
InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
Key Properties
Boiling Point
221 °C
CAS Common Chemistry
Melting Point
8.2 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.15 g/mol | CAS Common Chemistry |
| 114.14799999999998 g/mol | RDKit | |
| 114.07931294 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,3-Dimethyl-2-imidazolidinone | CAS Common Chemistry |
| Boiling Point | 221 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1N(C)CCN1C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CYSGHNMQYZDMIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8.2 °C | CAS Common Chemistry |
| Name | 1,3-Dimethyl-2-imidazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.55 Ų | RDKit |
| LogP | -0.01639999999999997 | RDKit |
| Molar Refractivity | 30.655999999999988 | RDKit |
