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Molecule
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
Identifiers
CAS Registry Number
632-22-4
SMILES
CN(C)C(=O)N(C)C
InChI Key
AVQQQNCBBIEMEU-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
Names and Synonyms
- Tetramethylurea Common Name
- Urea, N,N,N′,N′-tetramethyl- Synonym
- Urea, tetramethyl- Synonym
- Urea, 1,1,3,3-tetramethyl- Synonym
- N,N,N′,N′-Tetramethylurea Synonym
- Tetramethylurea Synonym
- Temur Synonym
- TMU Synonym
- Tetramethylcarbamide Synonym
- NSC 91488 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.16 g/mol | CAS Common Chemistry |
| 116.16399999999999 g/mol | RDKit | |
| 116.164 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9687 g/cm3 @ 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 |
| 23.55 Ų | RDKit | |
| 23.09 Ų | chempirical lib | |
| LogP | 0.22960000000000003 | RDKit |
| 0.2296 | RDKit | |
| Molar Refractivity | 32.76999999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 116.094963004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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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.
External Resources
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Quick conversion
MW = 116.16 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12N2O.
