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Ethylurea
CAS: 625-52-5 | C3H8N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
625-52-5
Molecular Formula:
C3H8N2O
Molecular Mass:
88.11 g/mol
Names and Synonyms:
Ethylurea
Urea, N-ethyl-
Urea, ethyl-
N-Ethylurea
Ethylurea
1-Ethylurea
NSC 53556
Identifiers:
SMILES:
CCNC(=N)O
InChI:
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
Key Properties
Melting Point
92.5 °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 | 88.11 g/mol | CAS Common Chemistry |
| 88.10999999999999 g/mol | RDKit | |
| 88.063662876 g/mol | RDKit | |
| Canonical SMILES | O=C(N)NCC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=RYECOJGRJDOGPP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92.5 °C | CAS Common Chemistry |
| Name | Ethylurea | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 56.11 Ų | RDKit |
| LogP | 0.08867000000000008 | RDKit |
| Molar Refractivity | 24.032199999999996 | RDKit |
