Back to Search
Tetramethylurea
CAS: 632-22-4 | C5H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
632-22-4
Molecular Formula:
C5H12N2O
Molecular Weight:
116.16399999999999 g/mol
Names and Synonyms:
Tetramethylurea
NSC 91488
Tetramethylcarbamide
TMU
Temur
Tetramethylurea
N,N,N′,N′-Tetramethylurea
Urea, 1,1,3,3-tetramethyl-
Urea, tetramethyl-
Urea, N,N,N′,N′-tetramethyl-
Identifiers:
SMILES:
CN(C)C(=O)N(C)C
InChI:
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 116.16 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetramethylurea None | Legacy Database |
| cas-boiling-point | 176.5 °C None | Legacy Database |
| cas-canonical-smile | O=C(N(C)C)N(C)C None | Legacy Database |
| cas-density | 0.9687 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=AVQQQNCBBIEMEU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -1.2 °C None | Legacy Database |
| cas-name | Tetramethylurea None | Legacy Database |
| wikipedia-name | Tetramethylurea None | Legacy Database |
| LogP | 0.22960000000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 116.16399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 116.094963004 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.76999999999998 | RDKit |
