Back to Search
1-(2-Aminoethyl)-2-Imidazolidinone
CAS: 6281-42-1 | C5H11N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6281-42-1
Molecular Formula:
C5H11N3O
Molecular Weight:
129.163 g/mol
Names and Synonyms:
1-(2-Aminoethyl)-2-Imidazolidinone
2-Imidazolidinone, 1-(2-aminoethyl)-
1-(2-Aminoethyl)-2-imidazolidinone
1-(β-Aminoethyl)-2-imidazolidone
1-(2-Aminoethyl)-2-imidazolidone
1-(2-Aminoethyl)imidazolidinone
N-(2-Aminoethyl)ethyleneurea
N-(β-Aminoethyl)-N,N′-ethyleneurea
N-(2-Aminoethyl)imidazolidinone
2-(2-Oxoimidazolidin-1-yl)ethylamine
3-(2-Aminoethyl)-2-imidazolidinone
[2-(2-Oxoimidazolidino)ethyl]amine
NSC 5776
3-(2-Aminoethyl)-2-imidazolidone
N-(2-Aminoethyl)imidazolidin-2-one
N-(2-Aminoethyl)imidazolidone
Reverlink U
1-(2-Aminoethyl)imidazolidone
Identifiers:
SMILES:
NCCN1CCN=C1O
InChI:
InChI=1S/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9)
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 | 129.163 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 129.090211972 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 | 61.849999999999994 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8252999999999999 | RDKit |
| molecular_mass | 129.16 g/mol | Legacy Database |
| cas-boiling-point | 155-163 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | O=C1NCCN1CCN None | Legacy Database |
| cas-inchi | InChI=1S/C5H11N3O/c6-1-3-8-4-2-7-5(8)9/h1-4,6H2,(H,7,9) None | Legacy Database |
| cas-inchi-key | InChIKey=PODSUMUEKRUDEI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-(2-Aminoethyl)-2-imidazolidinone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.5582 | RDKit |
