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N,N,N′,N′-Tetraethylurea
CAS: 1187-03-7 | C9H20N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1187-03-7
Molecular Formula:
C9H20N2O
Molecular Mass:
172.27 g/mol
Names and Synonyms:
N,N,N′,N′-Tetraethylurea
Urea, N,N,N′,N′-tetraethyl-
Urea, tetraethyl-
Urea, 1,1,3,3-tetraethyl-
N,N,N′,N′-Tetraethylurea
Tetraethylurea
1,1,3,3-Tetraethylurea
Tetraethylcarbamide
Identifiers:
SMILES:
CCN(CC)C(=O)N(CC)CC
InChI:
InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
Key Properties
Boiling Point
209 °C
CAS Common Chemistry
Density
0.92 g/cm³
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 | 172.27 g/mol | CAS Common Chemistry |
| 172.27199999999996 g/mol | RDKit | |
| 172.15756326 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.919 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 209 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(CC)CC)N(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UWHSPZZUAYSGTB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N,N′,N′-Tetraethylurea | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| LogP | 1.79 | RDKit |
| Molar Refractivity | 51.238000000000035 | RDKit |
