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2-Imidazolidinone
CAS: 120-93-4 | C3H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-93-4
Molecular Formula:
C3H6N2O
Molecular Mass:
86.09 g/mol
Names and Synonyms:
2-Imidazolidinone
2-Imidazolidinone
Urea, ethylene-
Ethyleneurea
2-Imidazolidone
N,N′-Ethyleneurea
SD 6073
Urea, N,N′-(1,2-ethanediyl)-
Imidazolidinone
2-Oxoimidazolidine
1,3-Ethyleneurea
NSC 21314
NSC 3338
CY 100
Imidazolidin-2-one
Katalin CE
Identifiers:
SMILES:
OC1=NCCN1
InChI:
InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
Key Properties
Boiling Point
163 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
131 °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 | 86.09 g/mol | CAS Common Chemistry |
| 86.09400000000001 g/mol | RDKit | |
| 86.048012812 g/mol | RDKit | |
| Boiling Point | 163 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1NCCN1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=YAMHXTCMCPHKLN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | 2-Imidazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| LogP | -0.4963999999999999 | RDKit |
| Molar Refractivity | 22.9335 | RDKit |
