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(2-Hydroxyethyl)Urea
CAS: 2078-71-9 | C3H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2078-71-9
Molecular Formula:
C3H8N2O2
Molecular Mass:
104.11 g/mol
Names and Synonyms:
(2-Hydroxyethyl)Urea
Urea, N-(2-hydroxyethyl)-
Urea, (2-hydroxyethyl)-
N-(2-Hydroxyethyl)urea
Monoethylolurea
N-(β-Hydroxyethyl)urea
(2-Hydroxyethyl)urea
(β-Hydroxyethyl)urea
Monoethanolurea
1-(2-Hydroxyethyl)urea
NSC 1127
Hydrovance
Identifiers:
SMILES:
N=C(O)NCCO
InChI:
InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7)
Key Properties
Melting Point
94-95 °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 | 104.11 g/mol | CAS Common Chemistry |
| 104.109 g/mol | RDKit | |
| 104.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NCCO | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O2/c4-3(7)5-1-2-6/h6H,1-2H2,(H3,4,5,7) | CAS Common Chemistry |
| InChI Key | InChIKey=CLAHOZSYMRNIPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 94-95 °C | CAS Common Chemistry |
| Name | (2-Hydroxyethyl)urea | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.34 Ų | RDKit |
| LogP | -0.93893 | RDKit |
| Molar Refractivity | 25.443999999999996 | RDKit |
