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Molecule
N,N′-Bis(Trimethylsilyl)Urea
CAS: 18297-63-7 · C7H20N2OSi2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18297-63-7
- Molecular Formula
- C7H20N2OSi2
- Molecular Mass
- 204.42 g/mol
Identifiers
CAS Registry Number
18297-63-7
SMILES
C[Si](C)(C)N=C(O)N[Si](C)(C)C
InChI Key
MASDFXZJIDNRTR-UHFFFAOYSA-N
InChI
InChI=1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10)
Names and Synonyms
- N,N′-Bis(Trimethylsilyl)Urea Systematic Name
- Urea, N,N′-bis(trimethylsilyl)- Synonym
- Urea, 1,3-bis(trimethylsilyl)- Synonym
- N,N′-Bis(trimethylsilyl)urea Synonym
- N1,N2-Bis(trimethylsilyl)urea Synonym
- 1,3-Bis(trimethylsilyl)urea Synonym
- Bis(trimethylsilyl)urea Synonym
- TSL 8845 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 204.42 g/mol | CAS Common Chemistry |
| 204.422 g/mol | RDKit | |
| Canonical SMILES | O=C(N[Si](C)(C)C)N[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H20N2OSi2/c1-11(2,3)8-7(10)9-12(4,5)6/h1-6H3,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=MASDFXZJIDNRTR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 222-224 °C | CAS Common Chemistry |
| Name | N,N′-Bis(trimethylsilyl)urea | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.620000000000005 Ų | RDKit |
| 44.62 Ų | RDKit | |
| LogP | 2.1597999999999997 | RDKit |
| 2.1598 | RDKit | |
| 2.16 | chempirical lib | |
| Molar Refractivity | 59.89150000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 204.11141632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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40
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 = 204.42 g/mol. Edit any field — others recompute live.
