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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 Mass:
116.16 g/mol
Names and Synonyms:
Tetramethylurea
Urea, N,N,N′,N′-tetramethyl-
Urea, tetramethyl-
Urea, 1,1,3,3-tetramethyl-
N,N,N′,N′-Tetramethylurea
Tetramethylurea
Temur
TMU
Tetramethylcarbamide
NSC 91488
Identifiers:
SMILES:
CN(C)C(=O)N(C)C
InChI:
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
Key Properties
Boiling Point
176.5 °C
CAS Common Chemistry
Melting Point
-1.2 °C
CAS Common Chemistry
Density
0.97 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 | 116.16 g/mol | CAS Common Chemistry |
| 116.16399999999999 g/mol | RDKit | |
| 116.094963004 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9687 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetramethylurea | CAS Common Chemistry |
| Boiling Point | 176.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AVQQQNCBBIEMEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -1.2 °C | CAS Common Chemistry |
| Name | Tetramethylurea | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.550000000000004 Ų | RDKit |
| LogP | 0.22960000000000003 | RDKit |
| Molar Refractivity | 32.76999999999998 | RDKit |
