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Trimethylsilylacetamide
CAS: 13435-12-6 | C5H13NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13435-12-6
Molecular Formula:
C5H13NOSi
Molecular Weight:
131.251 g/mol
Names and Synonyms:
Trimethylsilylacetamide
Acetamide, N-(trimethylsilyl)-
N-(Trimethylsilyl)acetamide
(Acetylamino)trimethylsilane
NSC 139859
Trimethylsilylacetamide
Identifiers:
SMILES:
CC(O)=N[Si](C)(C)C
InChI:
InChI=1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.251 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.076640566 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 | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7976999999999999 | RDKit |
| molecular_mass | 131.25 g/mol | Legacy Database |
| cas-boiling-point | 104 °C @ Press: 35 Torr None | Legacy Database |
| cas-canonical-smile | O=C(N[Si](C)(C)C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H13NOSi/c1-5(7)6-8(2,3)4/h1-4H3,(H,6,7) None | Legacy Database |
| cas-inchi-key | InChIKey=LWFWUJCJKPUZLV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 46-49 °C None | Legacy Database |
| cas-name | Trimethylsilylacetamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 39.08380000000001 | RDKit |
