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Molecule
N,N,N′,N′-Tetraethylurea
CAS: 1187-03-7 · C9H20N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1187-03-7
- Molecular Formula
- C9H20N2O
- Molecular Mass
- 172.27 g/mol
Identifiers
CAS Registry Number
1187-03-7
SMILES
CCN(CC)C(=O)N(CC)CC
InChI Key
UWHSPZZUAYSGTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2O/c1-5-10(6-2)9(12)11(7-3)8-4/h5-8H2,1-4H3
Names and Synonyms
- N,N,N′,N′-Tetraethylurea Synonym
- Urea, N,N,N′,N′-tetraethyl- Synonym
- Urea, tetraethyl- Synonym
- Urea, 1,1,3,3-tetraethyl- Synonym
- N,N,N′,N′-Tetraethylurea Synonym
- Tetraethylurea Synonym
- 1,1,3,3-Tetraethylurea Synonym
- Tetraethylcarbamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.27 g/mol | CAS Common Chemistry |
| 172.27199999999996 g/mol | RDKit | |
| 172.272 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.919 g/cm3 @ 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 |
| 23.55 Ų | RDKit | |
| 23.09 Ų | chempirical lib | |
| LogP | 1.79 | RDKit |
| Molar Refractivity | 51.238000000000035 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 172.15756326 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 172.27 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H20N2O.
