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Molecule
Trimethylsilylacetamide
CAS: 13435-12-6 · C5H13NOSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13435-12-6
- Molecular Formula
- C5H13NOSi
- Molecular Mass
- 131.25 g/mol
Identifiers
CAS Registry Number
13435-12-6
SMILES
CC(O)=N[Si](C)(C)C
InChI Key
LWFWUJCJKPUZLV-UHFFFAOYSA-N
InChI
InChI=1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7)
Names and Synonyms
- Trimethylsilylacetamide Synonym
- Acetamide, N-(trimethylsilyl)- Synonym
- N-(Trimethylsilyl)acetamide Synonym
- (Acetylamino)trimethylsilane Synonym
- NSC 139859 Synonym
- Trimethylsilylacetamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 131.25 g/mol | CAS Common Chemistry |
| 131.251 g/mol | RDKit | |
| Canonical SMILES | O=C(N[Si](C)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=LWFWUJCJKPUZLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 46-49 °C | CAS Common Chemistry |
| Name | Trimethylsilylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.7976999999999999 | RDKit |
| 1.7977 | RDKit | |
| Molar Refractivity | 39.08380000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 131.076640566 g/mol | RDKit |
| Boiling Point | 104 °C @ 35 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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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MW = 131.25 g/mol. Edit any field — others recompute live.
