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Molecule
1-(2-Hydroxyethyl)-2-Imidazolidinone
CAS: 3699-54-5 · C5H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3699-54-5
- Molecular Formula
- C5H10N2O2
- Molecular Mass
- 130.15 g/mol
Identifiers
CAS Registry Number
3699-54-5
SMILES
OCCN1CCN=C1O
InChI Key
HBAIZGPCSAAFSU-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9)
Names and Synonyms
- 1-(2-Hydroxyethyl)-2-Imidazolidinone Systematic Name
- 2-Imidazolidinone, 1-(2-hydroxyethyl)- Synonym
- 1-(2-Hydroxyethyl)-2-imidazolidinone Synonym
- N-(2-Hydroxyethyl)imidazolidone Synonym
- 1-(Hydroxyethyl)ethyleneurea Synonym
- N-(β-Hydroxyethyl)-N,N′-ethylene urea Synonym
- Ucar RD 65-2 Synonym
- N-(2-Hydroxyethyl)ethyleneurea Synonym
- SR 511 Synonym
- Sartomer SR 511 Synonym
- SR 511A Synonym
- NSC 5775 Synonym
- Norsocryl 101 Synonym
- N-(2-Hydroxyethyl)imidazolidin-2-one Synonym
- 3-(2-Hydroxyethyl)-2-imidazolidinone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.15 g/mol | CAS Common Chemistry |
| 130.14700000000002 g/mol | RDKit | |
| 130.147 g/mol | RDKit | |
| Canonical SMILES | O=C1NCCN1CCO | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9) | CAS Common Chemistry |
| InChI Key | InChIKey=HBAIZGPCSAAFSU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50-51 °C | CAS Common Chemistry |
| Name | 1-(2-Hydroxyethyl)-2-imidazolidinone | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.06 Ų | RDKit |
| 55.83 Ų | chempirical lib | |
| LogP | -0.7917000000000001 | RDKit |
| -0.7917 | RDKit | |
| Molar Refractivity | 33.58959999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 130.07422756 g/mol | RDKit |
| Boiling Point | 220-240 °C @ 20 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 130.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10N2O2.
