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Molecule
Trimethylsilyl Cyanide
CAS: 7677-24-9 · C4H9NSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7677-24-9
- Molecular Formula
- C4H9NSi
- Molecular Mass
- 99.21 g/mol
Identifiers
CAS Registry Number
7677-24-9
SMILES
C[Si](C)(C)C#N
InChI Key
LEIMLDGFXIOXMT-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3
Names and Synonyms
- Trimethylsilyl Cyanide Synonym
- Silanecarbonitrile, trimethyl- Synonym
- Silane, cyanotrimethyl- Synonym
- Trimethylsilanecarbonitrile Synonym
- Trimethylsilyl cyanide Synonym
- Cyanotrimethylsilane Synonym
- Trimethylcyanosilane Synonym
- Trimethylsilylcarbonitrile Synonym
- Trimethylsilyl nitrile Synonym
- Trimethylsilylformonitrile Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.21 g/mol | CAS Common Chemistry |
| 99.20899999999999 g/mol | RDKit | |
| 99.209 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.744 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyanide | CAS Common Chemistry |
| Boiling Point | 118-119 °C | CAS Common Chemistry |
| Canonical SMILES | N#C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEIMLDGFXIOXMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11-12 °C | CAS Common Chemistry |
| Name | Trimethylsilyl cyanide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 1.3873799999999998 | RDKit |
| 1.3874 | RDKit | |
| Molar Refractivity | 28.958999999999985 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 99.050425818 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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
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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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Quick conversion
MW = 99.21 g/mol; density = 0.740 g/mL. Edit any field — others recompute live.
