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3-Cyanopropyldimethylchlorosilane
CAS: 18156-15-5 | C6H12ClNSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18156-15-5
Molecular Formula:
C6H12ClNSi
Molecular Mass:
161.71 g/mol
Names and Synonyms:
3-Cyanopropyldimethylchlorosilane
Butanenitrile, 4-(chlorodimethylsilyl)-
Butyronitrile, 4-(chlorodimethylsilyl)-
4-(Chlorodimethylsilyl)butanenitrile
Chloro(3-cyanopropyl)dimethylsilane
3-Cyanopropyldimethylchlorosilane
3-Cyanopropyldimethylsilyl chloride
3-(Chlorodimethylsilyl)butyronitrile
Identifiers:
SMILES:
C[Si](C)(Cl)CCCC#N
InChI:
InChI=1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3
Key Properties
Boiling Point
108-109 °C @ Press: 15 Torr
CAS Common Chemistry
Density
0.99 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.71 g/mol | CAS Common Chemistry |
| 161.708 g/mol | RDKit | |
| 161.042753594 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.986 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 108-109 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | N#CCCC[Si](Cl)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12ClNSi/c1-9(2,7)6-4-3-5-8/h3-4,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GPIARXZSVWTOMD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Cyanopropyldimethylchlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 2.7340800000000005 | RDKit |
| Molar Refractivity | 42.98900000000002 | RDKit |
