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4-(Trimethylsilyl)Morpholine
CAS: 13368-42-8 | C7H17NOSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13368-42-8
Molecular Formula:
C7H17NOSi
Molecular Mass:
159.31 g/mol
Names and Synonyms:
4-(Trimethylsilyl)Morpholine
Morpholine, 4-(trimethylsilyl)-
4-(Trimethylsilyl)morpholine
Trimethylmorpholinosilane
N-(Trimethylsilyl)morpholine
Morpholinotrimethylsilane
Identifiers:
SMILES:
C[Si](C)(C)N1CCOCC1
InChI:
InChI=1S/C7H17NOSi/c1-10(2,3)8-4-6-9-7-5-8/h4-7H2,1-3H3
Key Properties
Boiling Point
160 °C
CAS Common Chemistry
Density
0.90 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 | 159.31 g/mol | CAS Common Chemistry |
| 159.30499999999998 g/mol | RDKit | |
| 159.107940694 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.897 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 160 °C | CAS Common Chemistry |
| Canonical SMILES | O1CCN(CC1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H17NOSi/c1-10(2,3)8-4-6-9-7-5-8/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JJOWIQMPCCUIGA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(Trimethylsilyl)morpholine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.47 Ų | RDKit |
| LogP | 1.1535 | RDKit |
| Molar Refractivity | 45.73800000000002 | RDKit |
