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1-(2-Hydroxyethyl)-2-Imidazolidinone
CAS: 3699-54-5 | C5H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3699-54-5
Molecular Formula:
C5H10N2O2
Molecular Weight:
130.14700000000002 g/mol
Names and Synonyms:
1-(2-Hydroxyethyl)-2-Imidazolidinone
3-(2-Hydroxyethyl)-2-imidazolidinone
N-(2-Hydroxyethyl)imidazolidin-2-one
Norsocryl 101
NSC 5775
SR 511A
Sartomer SR 511
SR 511
N-(2-Hydroxyethyl)ethyleneurea
Ucar RD 65-2
N-(β-Hydroxyethyl)-N,N′-ethylene urea
1-(Hydroxyethyl)ethyleneurea
N-(2-Hydroxyethyl)imidazolidone
1-(2-Hydroxyethyl)-2-imidazolidinone
2-Imidazolidinone, 1-(2-hydroxyethyl)-
Identifiers:
SMILES:
OCCN1CCN=C1O
InChI:
InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.14700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.07422756 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 56.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.7917000000000001 | RDKit |
| molecular_mass | 130.15 g/mol | Legacy Database |
| cas-boiling-point | 220-240 °C @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | O=C1NCCN1CCO None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9) None | Legacy Database |
| cas-inchi-key | InChIKey=HBAIZGPCSAAFSU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 50-51 °C None | Legacy Database |
| cas-name | 1-(2-Hydroxyethyl)-2-imidazolidinone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.58959999999999 | RDKit |
